SCHEMBL2379595

SCHEMBL2379595

CC(Cl)Cl.Nc1ncc(-c2nc(N3CCOCC3)nc3c2CCN3C(=O)NCCN2CCOCC2)cn1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.63
PIK3R1 P27986 17/20 0.63
PIK3CB P42338 2/20 0.58
PIK3CD O00329 1/20 0.55
PIK3C2B O00750 1/20 0.55
MTOR P42345 1/20 0.55
PIK3CG P48736 1/20 0.55

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
SCHEMBL2377652 0.95 PIK3CA (0.68) PIK3CAPIK3R1PIK3CBPIK3CDPIK3C2B
SCHEMBL2376004 0.91 PIK3CA (0.65) PIK3CAPIK3R1PIK3CBPIK3CDPIK3C2B
SCHEMBL2378072 0.87 PIK3CA (0.70) PIK3CAPIK3R1PIK3CBPIK3CDPIK3C2B
SCHEMBL2378957 0.87 PIK3CA (0.62) PIK3CAPIK3R1PIK3CBPIK3CDPIK3C2B
SCHEMBL2376681 0.85 PIK3CA (0.72) PIK3CAPIK3R1PIK3CBPIK3CDPIK3C2B
SCHEMBL2377751 0.85 PIK3CA (0.66) PIK3CAPIK3R1PIK3CBPIK3CDPIK3C2B
SCHEMBL2376436 0.85 PIK3CA (0.70) PIK3CAPIK3R1PIK3CBPIK3CDPIK3C2B
SCHEMBL2377714 0.85 PIK3CA (0.68) PIK3CAPIK3R1PIK3CBPIK3CDPIK3C2B
SCHEMBL2377428 0.85 PIK3CA (0.58) PIK3CAPIK3R1PIK3CBPIK3CDPIK3C2B
SCHEMBL2378060 0.83 PIK3CA (0.71) PIK3CAPIK3R1PIK3CBPIK3CDPIK3C2B

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