SCHEMBL2377409

SCHEMBL2377409

COc1ccc(CN(Cc2ccc(OC)cc2)c2ncc(-c3nc(N4CCOCC4)nc4c3CCN4C(=O)NCCCN(C)C)cn2)cc1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3R1 P27986 17/20 0.49
PIK3CA P42336 17/20 0.49
PIK3CB P42338 3/20 0.45
MTOR P42345 1/20 0.43
PIK3CD O00329 2/20 0.41
POLB P06746 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
SCHEMBL2377033 0.96 PIK3CA (0.50) PIK3R1PIK3CAPIK3CBMTORPIK3CD
SCHEMBL2377408 0.91 PIK3CA (0.49) PIK3R1PIK3CAPIK3CBMTORPOLB
SCHEMBL2379277 0.91 PIK3CA (0.51) PIK3R1PIK3CAPIK3CBMTORPIK3CD
SCHEMBL2378304 0.91 PIK3CA (0.54) PIK3R1PIK3CAPIK3CBMTORPIK3CD
SCHEMBL2377210 0.90 PIK3CA (0.47) PIK3R1PIK3CAPIK3CB
SCHEMBL2376657 0.90 PIK3R1 (0.51) PIK3R1PIK3CAPIK3CBPIK3CD
SCHEMBL2375834 0.89 PIK3CA (0.53) PIK3R1PIK3CAPIK3CBMTORPIK3CD
SCHEMBL2377671 0.89 PIK3CA (0.48) PIK3R1PIK3CAPIK3CBMTORPOLB
SCHEMBL12247852 0.89 PIK3R1 (0.52) PIK3R1PIK3CAPIK3CBPIK3CD
SCHEMBL2379086 0.88 PIK3R1 (0.49) PIK3R1PIK3CAPIK3CB

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