SCHEMBL4668016

SCHEMBL4668016

CCc1nn(-c2cnccc2C)c(Nc2ccc(C)cc2C(=O)O)c1-c1ccncc1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 14/20 0.53
DHODH Q02127 4/20 0.41
ADORA3 P0DMS8 1/20 0.41
KDM4C Q9H3R0 2/20 0.40

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
SCHEMBL4668528 0.92 ADORA1 (0.53) ADORA1DHODHADORA3
SCHEMBL4667055 0.89 ADORA1 (0.53) ADORA1DHODHADORA3
SCHEMBL14600200 0.88 ADORA1 (0.51) ADORA1DHODHADORA3
SCHEMBL4666257 0.85 ADORA1 (0.48) ADORA1DHODHADORA3
SCHEMBL4667046 0.84 ADORA1 (0.52) ADORA1ADORA3KDM4C
SCHEMBL4666215 0.79 ADORA1 (0.51) ADORA1DHODHADORA3
SCHEMBL5010719 0.79 ADORA1 (0.67) ADORA1DHODHADORA3
SCHEMBL14600441 0.78 ADORA1 (0.56) ADORA1DHODHADORA3
SCHEMBL4666092 0.77 ADORA1 (0.46) ADORA1KDM4C
SCHEMBL14600205 0.77 ADORA1 (0.49) ADORA1DHODHADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1928455-A1 ANILINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES Bayer Healthcare, LLC (US) 2008-06-11 EP disclosed
WO-2007027842-A1 ANILINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES BAYER HEALTHCARE LLC (US) 2007-03-08 WO disclosed
WO-2007027842-A1 ANILINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES BAYER HEALTHCARE LLC (US) 2007-03-08 WO disclosed