SCHEMBL2645820

SCHEMBL2645820

[c]1cn(Cc2ccccn2)nn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
PKM P14618 1/20 0.44
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
HDAC1 Q13547 1/20 0.39
HRH1 P35367 1/20 0.39
LMNA P02545 2/20 0.39
CREBBP Q92793 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 1/20 0.38
LIN28A Q9H9Z2 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRA5 P31644 1/20 0.38
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1906709 0.74 ALDH1A1 (0.45) ALDH1A1KMT2AMEN1PKMCYP1A2
SCHEMBL1851250 0.72 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1PKMCYP1A2
SCHEMBL18377684 0.71 HDAC1 (0.50) ALDH1A1KMT2AMEN1PKMHDAC1
SCHEMBL9586325 0.70 ALDH1A1 (0.45) ALDH1A1KMT2AMEN1PKMCYP1A2
SCHEMBL23674896 0.70 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1PKMCYP1A2
SCHEMBL19260079 0.69 MAPT (0.47) ALDH1A1KMT2AMEN1PKMCYP1A2
SCHEMBL23674900 0.67 ALDH1A1 (0.39) ALDH1A1KMT2AMEN1PKMCYP1A2
SCHEMBL1722064 0.67 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1PKMCYP1A2
SCHEMBL1331974 0.66 CYP1A2 (0.71) ALDH1A1KMT2ACYP1A2CYP2C19HRH1
SCHEMBL1333260 0.66 CYP1A2 (0.71) ALDH1A1KMT2ACYP1A2CYP2C19HRH1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 58 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6399608-B1 FLUOXETINE, PAROXETINE OR SERTRALINE WITH 1,2,4-TRIAZOLO (4,3-B)PYRIDAZINE DERIVATIVE; NONSEDATING ANXIOLYTIC MODULATOR OF BENZODIAZEPINE BINDING SITE OF GAMMA AMINO-BUTYRIC ACID RECEPTOR; CENTRAL NERVOUS SYSTEM MERCK SHARP & DOHME LTD. (GB) 2002-06-04 US claimed
WO-2023152042-A1 ANTIMALARIAL HEXAHYDROPYRIMIDINE ANALOGUES UCB Biopharma SRL (BE) 2023-08-17 WO disclosed
EP-1121361-B1 PYRAZOLO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2007-08-29 EP disclosed
US-6872720-B2 Pyrazolo-triazine derivatives as ligands for gaba receptors MERCK SHARP & DOHME LTD. 2005-03-29 US disclosed
US-6730676-B2 CENTRAL NERVOUS SYSTEM DISORDERS; COGNITION ACTIVATORS MERCK SHARP & DOHME LTD. 2004-05-04 US disclosed
US-6730681-B2 ANXIOLYTIC AGENTS AND ANTICONVULSANTS MERCK SHARP & DOHME LTD. 2004-05-04 US disclosed
US-6699859-B1 TREATMENT OF ANXIETY AND CONVULSIONS. MERCK SHARP & DOHME LTD. (GB) 2004-03-02 US disclosed
EP-1212324-B1 IMIDAZO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2003-10-29 EP disclosed
EP-1049697-B1 TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2003-09-17 EP disclosed
US-6608062-B1 Ligands for gamma-aminobutyric acid receptors; treatment and/or prevention of central nervous system disorders, including anxiety MERCK SHARP & DOHME LTD. 2003-08-19 US disclosed
WO-1999065904-A1 TRIAZOLO-PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 1999-12-23 WO disclosed
WO-1999065907-A1 TRIAZOLO-PYRIMIDINES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 1999-12-23 WO disclosed
WO-1999037646-A1 TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 1999-07-29 WO disclosed
WO-1999037303-A1 COMBINATION OF A GABA-A ALPHA 2/3 AGONIST AND A SELECTIVE SEROTONIN REUPTAKE INHIBITOR MERCK SHARP & DOHME LIMITED (GB) 1999-07-29 WO disclosed
WO-1999037645-A1 TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 1999-07-29 WO disclosed
WO-1999037649-A1 TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 1999-07-29 WO disclosed
WO-1999036423-A1 TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 1999-07-22 WO disclosed
WO-1999025353-A1 THERAPEUTIC USES OF TRIAZOLO-PYRIDAZINE DERIVATIVES MERCK SHARP & DOHME LIMITED (GB) 1999-05-27 WO disclosed
EP-0915875-A2 SUBSTITUTED TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 1999-05-19 EP disclosed
WO-1998004559-A2 SUBSTITUTED TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 1998-02-05 WO disclosed