SCHEMBL2377210

SCHEMBL2377210

COc1ccc(CN(Cc2ccc(OC)cc2)c2ncc(-c3nc(N4CCOCC4)nc4c3CCN4C(=O)NCCCN3CCN(C)CC3)cn2)cc1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 15/20 0.47
PIK3R1 P27986 9/20 0.47
PIK3CB P42338 1/20 0.46
ALDH1A1 P00352 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
SCHEMBL2377408 0.93 PIK3CA (0.49) PIK3CAPIK3R1PIK3CBALDH1A1
SCHEMBL2377671 0.91 PIK3CA (0.48) PIK3CAPIK3R1PIK3CB
SCHEMBL2377409 0.90 PIK3R1 (0.49) PIK3CAPIK3R1PIK3CB
SCHEMBL2377033 0.89 PIK3CA (0.50) PIK3CAPIK3R1PIK3CB
SCHEMBL2378299 0.89 PIK3CA (0.53) PIK3CAPIK3R1PIK3CB
SCHEMBL2379277 0.88 PIK3CA (0.51) PIK3CAPIK3R1PIK3CB
SCHEMBL2378304 0.88 PIK3CA (0.54) PIK3CAPIK3R1PIK3CB
SCHEMBL2376657 0.88 PIK3R1 (0.51) PIK3CAPIK3R1PIK3CB
SCHEMBL2377992 0.87 PIK3CA (0.53) PIK3CAPIK3R1PIK3CB
SCHEMBL2375834 0.87 PIK3CA (0.53) 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