SCHEMBL14728601

SCHEMBL14728601

C=C/C=C(\C=C/N)c1cc(O)n2c(n1)c(Cc1cccc(Cl)c1Cl)c(=O)n2C

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 7/20 0.34
PIK3CD O00329 6/20 0.34
PIK3CA P42336 6/20 0.34
CCR2 P41597 1/20 0.34
CCR5 P51681 1/20 0.34
PIK3CG P48736 4/20 0.34

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
SCHEMBL14728375 0.85 PIK3CB (0.38) PIK3CBPIK3CDPIK3CACCR2CCR5
SCHEMBL14728249 0.81 CCR2 (0.32) PIK3CBPIK3CDPIK3CACCR2CCR5
SCHEMBL15843942 0.75 PIK3CB (0.56) PIK3CBPIK3CDPIK3CACCR2CCR5
SCHEMBL14728405 0.75 PIK3CD (0.35) PIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL14728235 0.73 ADCY10 (0.31) CCR2
SCHEMBL14728548 0.66 PIK3CB (0.32) PIK3CBPIK3CDPIK3CG
SCHEMBL15844032 0.59 PIK3CB (0.63) PIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL14720556 0.56 PNMT (0.41) PIK3CBPIK3CDPIK3CACCR2CCR5
SCHEMBL14411093 0.56 ADCY10 (0.35)
SCHEMBL13818593 0.55 GABRA1 (0.32)

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-2013028263-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS PI3 KINASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-02-28 WO disclosed