SCHEMBL16308387

SCHEMBL16308387

O=C(CC1CCOCC1)N[C@H]1CC[C@H](Oc2cc(-n3c(C(F)F)nc4ccccc43)nc(N3CCOCC3)n2)C1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 19/20 0.56
PIK3CD O00329 12/20 0.52
PIK3CA P42336 9/20 0.49
PIK3CG P48736 9/20 0.49
PIK3C2B O00750 1/20 0.47
PIK3R1 P27986 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
SCHEMBL15029482 0.96 PIK3CB (0.54) PIK3CBPIK3CDPIK3CAPIK3CGPIK3C2B
SCHEMBL17529172 0.94 PIK3CB (0.53) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL16308474 0.93 PIK3CB (0.53) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL15009375 0.92 PIK3CB (0.58) PIK3CBPIK3CDPIK3CAPIK3CGPIK3C2B
SCHEMBL16308376 0.92 PIK3CB (0.58) PIK3CBPIK3CDPIK3CAPIK3CGPIK3C2B
SCHEMBL17529041 0.91 PIK3CB (0.68) PIK3CBPIK3CDPIK3CAPIK3CGPIK3C2B
SCHEMBL15030035 0.91 PIK3CB (0.56) PIK3CBPIK3CDPIK3CAPIK3CGPIK3C2B
SCHEMBL16308386 0.90 PIK3CB (0.53) PIK3CBPIK3CDPIK3CAPIK3CGPIK3C2B
SCHEMBL15030038 0.90 PIK3CB (0.56) PIK3CBPIK3CDPIK3CAPIK3CGPIK3C2B
SCHEMBL16308381 0.90 PIK3CB (0.55) PIK3CBPIK3CDPIK3CAPIK3CGPIK3C2B

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