SCHEMBL19445385

SCHEMBL19445385

NC(=O)c1cnc2c(N3CCOCC3)nc(-c3cccc(O)c3)nc2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 19/20 0.68
▸ PIK3CG P48736 10/20 0.68
▸ MTOR P42345 9/20 0.68
▸ PIK3CD O00329 7/20 0.68
▸ PIK3C2B O00750 3/20 0.56
▸ PIK3CB P42338 3/20 0.56
▸ CCNE2 O96020 1/20 0.56
▸ PRKACA P17612 1/20 0.56
▸ PRKACG P22612 1/20 0.56
▸ PRKACB P22694 1/20 0.56
▸ CCNE1 P24864 1/20 0.56
▸ CDK2 P24941 1/20 0.56
▸ KDR P35968 1/20 0.56
▸ HDAC1 Q13547 1/20 0.52
▸ PIK3C2A O00443 1/20 0.52
▸ CHUK O15111 1/20 0.52
▸ DAPK3 O43293 1/20 0.52
▸ PIK3C2G O75747 1/20 0.52
▸ RAF1 P04049 1/20 0.52
▸ BRAF P15056 1/20 0.52

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
SCHEMBL16912825 0.91 PIK3CA (0.69) PIK3CAPIK3CGMTORPIK3CDPIK3C2B
SCHEMBL16919687 0.86 PIK3CA (0.68) PIK3CAPIK3CGMTORPIK3CDPIK3C2B
SCHEMBL16920278 0.86 PIK3CA (0.68) PIK3CAPIK3CGMTORPIK3CDPIK3C2B
SCHEMBL19445390 0.85 PIK3CA (0.61) PIK3CAPIK3CGMTORPIK3CDPIK3C2B
SCHEMBL16912793 0.85 PIK3CA (0.72) PIK3CAPIK3CGMTORPIK3CDPIK3C2B
SCHEMBL16919695 0.84 PIK3CA (0.66) PIK3CAPIK3CGMTORPIK3CDPIK3C2B
SCHEMBL16919691 0.84 PIK3CA (0.66) PIK3CAPIK3CGMTORPIK3CDPIK3C2B
SCHEMBL19445261 0.84 PIK3CA (0.66) PIK3CAPIK3CGMTORPIK3CDPIK3C2B
SCHEMBL19445356 0.84 PIK3CA (0.68) PIK3CAPIK3CGMTORPIK3CDPIK3C2B
SCHEMBL16912837 0.84 PIK3CA (0.68) PIK3CAPIK3CGMTORPIK3CDPIK3C2B

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
EP-2885297-B1 TRISUBSTITUTED PYRIDO[3,2-D]PYRIMIDINES, THEIR PREPARATION PROCESS AND THEIR THERAPEUTICAL USES CENTRE NAT DE LA RECH SCIENT (C N R S ) (FR) 2017-10-11 — — EP disclosed
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