SCHEMBL2377227

SCHEMBL2377227

COc1ccc(CN(Cc2ccc(OC)cc2)c2ncc(-c3nc(N4CCOCC4)nc4c3CCN4C(=S)Nc3ccc(C(=O)N4CCN(C)CC4)cc3C)cn2)cc1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.61
PIK3R1 P27986 10/20 0.61
MTOR P42345 3/20 0.40
PIK3CG P48736 3/20 0.40
PIK3CB P42338 1/20 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
SCHEMBL2392322 0.97 PIK3CA (0.63) PIK3CAPIK3R1PIK3CB
SCHEMBL2378334 0.95 PIK3CA (0.55) PIK3CAPIK3R1MTORPIK3CGPIK3CB
SCHEMBL2376987 0.95 PIK3CA (0.69) PIK3CAPIK3R1PIK3CB
SCHEMBL2377817 0.95 PIK3CA (0.68) PIK3CAPIK3R1MTORPIK3CGPIK3CB
SCHEMBL2377842 0.92 PIK3CA (0.56) PIK3CAPIK3R1PIK3CB
SCHEMBL2377779 0.91 PIK3CA (0.70) PIK3CAPIK3R1PIK3CB
SCHEMBL2377416 0.90 PIK3CA (0.57) PIK3CAPIK3R1MTORPIK3CB
SCHEMBL2377877 0.90 PIK3CA (0.53) PIK3CAPIK3R1MTORPIK3CGPIK3CB
SCHEMBL2376909 0.90 PIK3CA (0.61) PIK3CAPIK3R1MTORPIK3CGPIK3CB
SCHEMBL2378840 0.89 PIK3CA (0.77) PIK3CAPIK3R1PIK3CB

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
US-8022205-B2 Pyrimidine derivatives as PI3K inhibitor and use thereof CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-09-20 US disclosed