SCHEMBL14601008

SCHEMBL14601008

CCc1nn(-c2ncccc2C)c(Nc2ccc(OC(F)(F)F)cc2C(=O)O)c1-c1ccc(CO)cc1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 16/20 0.47
ADORA3 P0DMS8 1/20 0.43
ADORA2B P29275 2/20 0.41
ADORA2A P29274 1/20 0.41
IGF2BP2 Q9Y6M1 1/20 0.38
DHODH Q02127 2/20 0.38
TP53 P04637 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
SCHEMBL14600440 0.93 ADORA1 (0.50) ADORA1ADORA3ADORA2BADORA2AIGF2BP2
SCHEMBL14600266 0.93 ADORA1 (0.54) ADORA1ADORA3ADORA2BADORA2AIGF2BP2
SCHEMBL14600991 0.91 ADORA1 (0.53) ADORA1ADORA3ADORA2BADORA2AIGF2BP2
SCHEMBL14601006 0.90 ADORA1 (0.49) ADORA1ADORA3ADORA2BADORA2AIGF2BP2
SCHEMBL14600230 0.89 ADORA1 (0.47) ADORA1ADORA3ADORA2BADORA2AIGF2BP2
SCHEMBL14600233 0.89 ADORA1 (0.46) ADORA1ADORA3ADORA2BADORA2AIGF2BP2
SCHEMBL14600704 0.88 ADORA1 (0.46) ADORA1ADORA3ADORA2BADORA2ADHODH
SCHEMBL14600444 0.88 ADORA1 (0.47) ADORA1ADORA3ADORA2BADORA2AIGF2BP2
SCHEMBL14600265 0.88 ADORA1 (0.47) ADORA1ADORA3ADORA2BADORA2AIGF2BP2
SCHEMBL14600267 0.87 ADORA1 (0.46) ADORA1ADORA3ADORA2BADORA2AIGF2BP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007027842-A1 ANILINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES BAYER HEALTHCARE LLC (US) 2007-03-08 WO disclosed