SCHEMBL6625940

SCHEMBL6625940

CSc1nc(Cl)cc(Oc2ccc(-c3ccccc3)cc2)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
HTT P42858 4/20 0.58
LMNA P02545 3/20 0.46
TSHR P16473 3/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MAPT P10636 7/20 0.44
HPGD P15428 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
CYP1A2 P05177 3/20 0.42
CYP2C9 P11712 3/20 0.42
CYP2C19 P33261 3/20 0.42
MAPK1 P28482 2/20 0.42
ATM Q13315 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
KDM4E B2RXH2 3/20 0.42
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
XBP1 P17861 1/20 0.41
PAX8 Q06710 1/20 0.41

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
SCHEMBL6623348 0.91 MEN1 (0.69) MEN1KMT2AHTTLMNATSHR
SCHEMBL6625062 0.85 MEN1 (0.59) MEN1KMT2AHTTLMNATSHR
SCHEMBL23884161 0.82 MEN1 (0.50) MEN1KMT2AHTTLMNATSHR
SCHEMBL7799660 0.80 HTT (0.81) MEN1KMT2AHTTLMNATSHR
SCHEMBL23900394 0.79 KMT2A (0.47) MEN1KMT2AHTTLMNATSHR
SCHEMBL6623300 0.78 HTT (0.49) MEN1KMT2AHTTLMNATSHR
SCHEMBL6626527 0.76 TSHR (0.45) MEN1KMT2AHTTLMNATSHR
SCHEMBL6623489 0.76 KMT2A (0.45) MEN1KMT2AHTTLMNATSHR
SCHEMBL8666534 0.74 KMT2A (1.00) MEN1KMT2AHTTLMNATSHR
SCHEMBL7521036 0.73 KDM4E (0.56) MEN1KMT2AHTTLMNATSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0976753-B1 [1,2,4]TRIAZOLO[1,5-c]PYRIMIDINE DERIVATIVES KYOWA HAKKO KOGYO KK (JP) 2004-01-02 EP disclosed
US-6222035-B1 AS ADENOSINE A.SUB.2A RECEPTOR ANTAGONISTS AND ARE USEFUL FOR THERAPY OR OR PROPHYLAXIS OF VARIOUS DISEASES INDUCED BY HYPERACTIVITY OF ADENOSINE A.SUB.2A RECEPTORS SUCH AS PARKINSON'S DISEASE, SENILE DEMENTIA OR DEPRESSION KYOWA HAKKO KOGYO CO., LTD. (JP) 2001-04-24 US disclosed
EP-0976753-A1 [1,2,4]TRIAZOLO[1,5-c]PYRIMIDINE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 2000-02-02 EP disclosed