SCHEMBL16308477

SCHEMBL16308477

O=C(COCC1CCCCO1)N[C@H]1CC[C@H](Oc2cc(-n3c(C(F)F)nc4ccccc43)nc(N3CCOCC3)n2)C1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 19/20 0.50
PIK3CD O00329 14/20 0.47
PIK3CA P42336 11/20 0.44
PIK3CG P48736 11/20 0.44

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
SCHEMBL16308473 0.92 PIK3CB (0.52) PIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL16308386 0.90 PIK3CB (0.53) PIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL15030038 0.87 PIK3CB (0.56) PIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL16308376 0.87 PIK3CB (0.58) PIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL15009375 0.87 PIK3CB (0.58) PIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL16309802 0.86 PIK3CB (0.52) PIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL16308545 0.86 PIK3CB (0.49) PIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL17529041 0.86 PIK3CB (0.68) PIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL15030035 0.85 PIK3CB (0.56) PIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL15029483 0.85 PIK3CB (0.49) PIK3CBPIK3CDPIK3CAPIK3CG

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