SCHEMBL9193643

SCHEMBL9193643

O=C(O)/C=C/c1c(-c2cccnc2)nn2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.48
ADORA2B P29275 2/20 0.48
ADORA3 P0DMS8 1/20 0.48
ADORA1 P30542 1/20 0.48
HDAC1 Q13547 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MAPK1 P28482 2/20 0.43
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.43
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
RAD51 Q06609 1/20 0.39
TBXAS1 P24557 3/20 0.38

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
SCHEMBL9193647 1.00 ADORA2A (0.48) ADORA2AADORA2BADORA3ADORA1HDAC1
SCHEMBL7294663 0.89 ADORA2A (0.56) ADORA2AADORA2BADORA3ADORA1HDAC1
SCHEMBL7294668 0.89 ADORA2A (0.56) ADORA2AADORA2BADORA3ADORA1HDAC1
SCHEMBL9202366 0.84 NPC1 (0.45) ADORA2AADORA2BADORA3ADORA1HDAC1
SCHEMBL9202371 0.84 NPC1 (0.45) ADORA2AADORA2BADORA3ADORA1HDAC1
SCHEMBL30997285 0.82 SMN1; SMN2 (0.44) ADORA2AADORA2BADORA3ADORA1HDAC1
SCHEMBL9197850 0.80 ADORA2A (0.51) ADORA2AADORA2BADORA3ADORA1HDAC1
SCHEMBL9197859 0.80 ADORA2A (0.51) ADORA2AADORA2BADORA3ADORA1HDAC1
SCHEMBL9201645 0.79 ADORA2A (0.54) ADORA2AADORA2BADORA3ADORA1HDAC1
SCHEMBL9201649 0.79 ADORA2A (0.54) ADORA2AADORA2BADORA3ADORA1HDAC1

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
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-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