SCHEMBL16309697

SCHEMBL16309697

COC1CCC(C(=O)N[C@H]2C[C@H](Nc3cc(-n4c(C(F)F)nc5ccccc54)nc(N4CCOCC4)n3)C2)CC1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 19/20 0.54
PIK3CD O00329 15/20 0.52
PIK3CA P42336 13/20 0.52
PIK3CG P48736 12/20 0.52
PIK3R1 P27986 1/20 0.49

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
SCHEMBL16309722 0.93 PIK3CB (0.58) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL16309723 0.91 PIK3CB (0.55) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL16309743 0.91 PIK3CB (0.53) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL16309744 0.89 PIK3CB (0.60) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL16309787 0.89 PIK3CB (0.56) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL15009643 0.88 PIK3CB (0.58) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL15010227 0.88 PIK3CB (0.58) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL15009647 0.88 PIK3CB (0.58) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL16309724 0.87 PIK3CB (0.54) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL16308396 0.86 PIK3CB (0.57) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2604601-B1 HETERO RING COMPOUND ASTELLAS PHARMA INC (JP) 2016-02-24 EP disclosed
US-8912180-B2 Heterocyclic compound ASTELLAS PHARMA INC. (JP) 2014-12-16 US disclosed