SCHEMBL9199698

SCHEMBL9199698

CCN(CC)C(=O)/C=C/c1c(-c2ccccc2)nn2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.52
ADORA2B P29275 2/20 0.52
ADORA1 P30542 2/20 0.52
ADORA3 P0DMS8 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.49
NPC1 O15118 1/20 0.49
EGFR P00533 1/20 0.47
KCNH2 Q12809 2/20 0.42
HDAC1 Q13547 2/20 0.42
LMNA P02545 1/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
LTB4R Q15722 1/20 0.38
LTB4R2 Q9NPC1 1/20 0.38
NR4A2 P43354 1/20 0.38
HPGD P15428 2/20 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
SCHEMBL9199702 1.00 ADORA2A (0.52) ADORA2AADORA2BADORA1ADORA3L3MBTL1
SCHEMBL9201723 0.88 ADORA2A (0.53) ADORA2AADORA2BADORA1ADORA3L3MBTL1
SCHEMBL9201728 0.88 ADORA2A (0.53) ADORA2AADORA2BADORA1ADORA3L3MBTL1
SCHEMBL9200206 0.83 ADORA2A (0.49) ADORA2AADORA2BADORA1ADORA3NPC1
SCHEMBL9200203 0.83 ADORA2A (0.49) ADORA2AADORA2BADORA1ADORA3NPC1
SCHEMBL9201649 0.83 ADORA2A (0.54) ADORA2AADORA2BADORA1ADORA3L3MBTL1
SCHEMBL9201645 0.83 ADORA2A (0.54) ADORA2AADORA2BADORA1ADORA3L3MBTL1
SCHEMBL7294663 0.82 ADORA2A (0.56) ADORA2AADORA2BADORA1ADORA3L3MBTL1
SCHEMBL7294668 0.82 ADORA2A (0.56) ADORA2AADORA2BADORA1ADORA3L3MBTL1
SCHEMBL8809364 0.81 EGFR (0.52) ADORA2AADORA2BADORA1ADORA3L3MBTL1

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