SCHEMBL16308232

SCHEMBL16308232

FC(F)c1nc2ccccc2n1-c1cc(N2CCOCC2)nc(NC[C@H]2CCN(CC3CCOCC3)C2)n1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 19/20 0.58
PIK3CD O00329 12/20 0.49
PIK3CA P42336 11/20 0.49
PIK3CG P48736 11/20 0.49
PIK3R1 P27986 2/20 0.47
PIK3C2B O00750 1/20 0.47
MTOR P42345 1/20 0.47

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
SCHEMBL15029620 0.95 PIK3CB (0.60) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL15029302 0.95 PIK3CB (0.60) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL10124768 0.90 PIK3CB (0.62) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL16308231 0.89 PIK3CB (0.57) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL15029404 0.89 PIK3CB (0.57) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL16308234 0.87 PIK3CB (0.59) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL15029899 0.85 PIK3CB (0.61) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL15029352 0.85 PIK3CB (0.61) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL15029601 0.85 PIK3CB (0.63) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL15009663 0.85 PIK3CB (0.63) 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 3 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
US-8912180-B2 Heterocyclic compound ASTELLAS PHARMA INC. (JP) 2014-12-16 US disclosed