SCHEMBL7414923

SCHEMBL7414923

O=C(Nc1ccncc1)C1=C(O)CCc2c1nc1cc(Cl)ccn21

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.44
TYK2 P29597 4/20 0.44
JAK1 P23458 3/20 0.44
KCNMA1 Q12791 2/20 0.43
KMT2A Q03164 4/20 0.39
NT5E P21589 1/20 0.39
MEN1 O00255 3/20 0.37
CD38 P28907 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GRIK1 P39086 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL7415629 0.91 TMPRSS4 (0.40)
SCHEMBL7949787 0.88 HTT (0.36) JAK2TYK2JAK1KMT2AMEN1
SCHEMBL7419796 0.84 KMT2A (0.42) JAK2TYK2JAK1KCNMA1KMT2A
SCHEMBL7958240 0.84 IKBKE (0.41) JAK2TYK2KMT2ASMN1; SMN2
SCHEMBL7415551 0.82 MAPT (0.36)
SCHEMBL7418401 0.81 TP53 (0.39) SMN1; SMN2
SCHEMBL7418016 0.78 KMT2A (0.51) KMT2AMEN1CD38SMN1; SMN2
SCHEMBL7964418 0.76 RAB9A (0.44) KMT2AMEN1MAPK1SMN1; SMN2
SCHEMBL7964545 0.76 TYK2 (0.43) TYK2KMT2ANT5E
SCHEMBL7418952 0.76 RAB9A (0.44) KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5639760-A USEFUL AS MUSCLE RELAXANTS, SEDATIVES, ANXIOLYTICS, ANTICONVULSANTS, AND ANTIDOTES FOR DRUG OVERDOSE MARYANOFF BRUCE E (US) 1997-06-17 US claimed
EP-0656002-A1 3-OXO-PYRIDO(1,2-A -)BENZIMIDAZOLE-4-CARBOXYL AND 4-OXO-AZEPINO(1,2-A -)BENZIMIDAZOLE-5-CARBOXYL DERIVATIVES USEFUL IN TREATING CENTRAL NERVOUS SYSTEM DISORDERS MCNEILAB, INC. (US) 1995-06-07 EP claimed
WO-1994004532-A1 3-OXO-PYRIDO(1,2-A^_)BENZIMIDAZOLE-4-CARBOXYL AND 4-OXO-AZEPINO(1,2-A^_)BENZIMIDAZOLE-5-CARBOXYL DERIVATIVES USEFUL IN TREATING CENTRAL NERVOUS SYSTEM DISORDERS MCNEILAB, INC. (US) 1994-03-03 WO claimed
US-6218384-B1 FOR THERAPY OF ANXIETY, MUSCLE SPASMS, SLEEPLESSNESS, CONVULSIONS AND BENZODIAZEPINE OVERDOSES ORTHO-MCNEIL PHARMACEUTICAL, INC. 2001-04-17 US disclosed
US-5639760-A USEFUL AS MUSCLE RELAXANTS, SEDATIVES, ANXIOLYTICS, ANTICONVULSANTS, AND ANTIDOTES FOR DRUG OVERDOSE MARYANOFF BRUCE E (US) 1997-06-17 US disclosed
EP-0656002-A1 3-OXO-PYRIDO(1,2-A -)BENZIMIDAZOLE-4-CARBOXYL AND 4-OXO-AZEPINO(1,2-A -)BENZIMIDAZOLE-5-CARBOXYL DERIVATIVES USEFUL IN TREATING CENTRAL NERVOUS SYSTEM DISORDERS MCNEILAB, INC. (US) 1995-06-07 EP disclosed
WO-1994004532-A1 3-OXO-PYRIDO(1,2-A^_)BENZIMIDAZOLE-4-CARBOXYL AND 4-OXO-AZEPINO(1,2-A^_)BENZIMIDAZOLE-5-CARBOXYL DERIVATIVES USEFUL IN TREATING CENTRAL NERVOUS SYSTEM DISORDERS MCNEILAB, INC. (US) 1994-03-03 WO disclosed