SCHEMBL14728249

SCHEMBL14728249

C=C/C=C(\C=C/N)c1cc(O)n2nc(C)c(Cc3cccc(Cl)c3Cl)c2n1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.32
CCR5 P51681 1/20 0.32
PIK3CB P42338 8/20 0.31
PIK3CD O00329 7/20 0.31
PIK3CA P42336 5/20 0.31
PIK3CG P48736 3/20 0.31
P2RX7 Q99572 1/20 0.30

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
SCHEMBL14728405 0.90 PIK3CD (0.35) PIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL14728568 0.87 USP2 (0.33) PIK3CBPIK3CD
SCHEMBL14728235 0.84 ADCY10 (0.31) CCR2
SCHEMBL14728601 0.81 PIK3CB (0.34) CCR2CCR5PIK3CBPIK3CDPIK3CA
SCHEMBL14728375 0.78 PIK3CB (0.38) CCR2CCR5PIK3CBPIK3CDPIK3CA
SCHEMBL14728328 0.76 PIK3CB (0.55) PIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL14720301 0.74 PIK3CB (0.53) CCR2CCR5PIK3CBPIK3CDPIK3CA
SCHEMBL14728548 0.72 PIK3CB (0.32) PIK3CBPIK3CDPIK3CG
Acetic Acid SCHEMBL14720443 0.70 PIK3CD (0.51) PIK3CBPIK3CDPIK3CAPIK3CGP2RX7
SCHEMBL14728354 0.69 PIK3CB (0.45) PIK3CBPIK3CDPIK3CAPIK3CG

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