SCHEMBL3689503

SCHEMBL3689503

CCC(=O)c1cnn2ccc(C#N)cc12

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 16/20 0.47
PIK3CA P42336 15/20 0.47
PIK3CB P42338 11/20 0.42
PIK3R1 P27986 3/20 0.40
EPHB3 P54753 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
SCHEMBL3690721 0.89 PIK3CD (0.49) PIK3CDPIK3CAPIK3CBPIK3R1
SCHEMBL3684977 0.84 PIK3CD (0.47) PIK3CDPIK3CAPIK3CBPIK3R1EPHB3
SCHEMBL20229602 0.81 HAT1 (0.42) EPHB3
SCHEMBL19997216 0.78 EPHB3 (0.56) EPHB3
SCHEMBL3687915 0.75 PIK3CD (0.52) PIK3CDPIK3CAPIK3CBPIK3R1
SCHEMBL3687917 0.75 PIK3CD (0.52) PIK3CDPIK3CAPIK3CBPIK3R1
SCHEMBL20229813 0.75 NPC1 (0.58) EPHB3
SCHEMBL19997277 0.74 ROCK1 (0.50) EPHB3
SCHEMBL19902676 0.74 CREBBP (0.41) EPHB3
SCHEMBL19997313 0.72 ROCK1 (0.52) EPHB3

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-2010074586-A1 PYRAZOLO[1,5-A]PYRIDINE AND IMIDAZO[1,2-A]PYRIDINE DERIVATIVES AND THEIR USE IN CANCER THERAPY PATHWAY THERAPEUTICS LIMITED (NZ) 2010-07-01 WO disclosed