SCHEMBL9201728

SCHEMBL9201728

CN(C)C(=O)C=Cc1c(-c2ccccc2)nn2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.53
ADORA1 P30542 3/20 0.53
ADORA2B P29275 2/20 0.53
ADORA3 P0DMS8 1/20 0.53
NR4A2 P43354 1/20 0.49
EGFR P00533 1/20 0.45
KCNH2 Q12809 2/20 0.42
HDAC1 Q13547 2/20 0.42
IP6K1 Q92551 1/20 0.40
IP6K2 Q9UHH9 1/20 0.40
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 2/20 0.39
MAPK1 P28482 2/20 0.37
ALDH1A1 P00352 2/20 0.37
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL9201723 1.00 ADORA2A (0.53) ADORA2AADORA1ADORA2BADORA3NR4A2
SCHEMBL9199702 0.88 ADORA2A (0.52) ADORA2AADORA1ADORA2BADORA3NR4A2
SCHEMBL9199698 0.88 ADORA2A (0.52) ADORA2AADORA1ADORA2BADORA3NR4A2
SCHEMBL9200206 0.87 ADORA2A (0.49) ADORA2AADORA1ADORA2BADORA3NR4A2
SCHEMBL9200203 0.87 ADORA2A (0.49) ADORA2AADORA1ADORA2BADORA3NR4A2
SCHEMBL9201645 0.87 ADORA2A (0.54) ADORA2AADORA1ADORA2BADORA3EGFR
SCHEMBL9201649 0.87 ADORA2A (0.54) ADORA2AADORA1ADORA2BADORA3EGFR
SCHEMBL7294668 0.87 ADORA2A (0.56) ADORA2AADORA1ADORA2BADORA3NR4A2
SCHEMBL7294663 0.87 ADORA2A (0.56) ADORA2AADORA1ADORA2BADORA3NR4A2
SCHEMBL9314182 0.84 ADORA2A (0.54) ADORA2AADORA1ADORA2BADORA3EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0299209-B1 Pyrazolopyridine compound and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO (JP) 1995-09-13 EP disclosed
US-5296490-A Pharmaceutically useful pyrazolopyridines FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-03-22 US disclosed
US-5179103-A Diuretics, hypotensive agents FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1993-01-12 US disclosed
US-5102878-A Treating psychological, bone, cardiovascular, blood disorders FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-04-07 US disclosed
US-5102869-A Urogenital disorders FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-04-07 US disclosed
US-5087629-A Diuretics, hypotensive agents; cardiotonic agents FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-02-11 US disclosed
US-4994453-A Treating asthma, diabetes, obesity, immunosuppression FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-02-19 US disclosed
US-4925849-A DIURETICS, HYPOTENSIVE AGENTS, CARIOTONIC AGENTS AND ANTIEDEMIC AGENTS FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1990-05-15 US disclosed
EP-0299209-A2 Pyrazolopyridine compound and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-01-18 EP disclosed