SCHEMBL17235083

SCHEMBL17235083

COc1ncc(-c2cccc3cc([C@@H](C)Nc4nc(N)ncc4C#N)n(-c4ccccc4)c(=O)c23)cn1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 18/20 0.56
PIK3R1 P27986 6/20 0.56
PIK3CG P48736 16/20 0.48
PIK3CA P42336 9/20 0.46
PIK3CB P42338 5/20 0.46
PIK3R2 O00459 1/20 0.42
ABCB11 O95342 1/20 0.41
TBXA2R P21731 1/20 0.41
HTR2A P28223 1/20 0.41
PDE3A Q14432 1/20 0.41

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
SCHEMBL14719407 1.00 PIK3CD (0.56) PIK3CDPIK3R1PIK3CGPIK3CAPIK3CB
SCHEMBL14719408 1.00 PIK3CD (0.56) PIK3CDPIK3R1PIK3CGPIK3CAPIK3CB
SCHEMBL14729888 0.94 PIK3CD (0.50) PIK3CDPIK3R1PIK3CGPIK3CAPIK3CB
SCHEMBL14729960 0.92 PIK3CD (0.54) PIK3CDPIK3R1PIK3CGPIK3CAPIK3CB
SCHEMBL14729896 0.92 PIK3CD (0.56) PIK3CDPIK3R1PIK3CGPIK3CAPIK3CB
SCHEMBL14729909 0.91 PIK3CD (0.59) PIK3CDPIK3R1PIK3CGPIK3CAPIK3CB
SCHEMBL17235473 0.91 PIK3CD (0.59) PIK3CDPIK3R1PIK3CGPIK3CAPIK3CB
SCHEMBL17235056 0.91 PIK3CD (0.59) PIK3CDPIK3R1PIK3CGPIK3CAPIK3CB
SCHEMBL14729766 0.91 PIK3CD (0.55) PIK3CDPIK3R1PIK3CGPIK3CAPIK3CB
SCHEMBL14719607 0.91 PIK3CD (0.49) PIK3CDPIK3R1PIK3CGPIK3CAPIK3CB

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-2015168079-A1 PYRIMIDINE OR PYRIDINE DERIVATIVES USEFUL AS PI3K INHIBITORS INFINITY PHARMACEUTICALS, INC. (US) 2015-11-05 WO disclosed