SCHEMBL622969

SCHEMBL622969

CCOC(=O)N1CCc2sc3c(N4CCOCC4)nc(-c4cccc(O)c4)nc3c2C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.55
MTOR P42345 8/20 0.49
PIK3CG P48736 8/20 0.48
PIK3CB P42338 6/20 0.48
PIK3C2B O00750 3/20 0.48
CCNE2 O96020 1/20 0.48
PRKACA P17612 1/20 0.48
PRKACG P22612 1/20 0.48
PRKACB P22694 1/20 0.48
CCNE1 P24864 1/20 0.48
CDK2 P24941 1/20 0.48
KDR P35968 1/20 0.48
PIK3CD O00329 6/20 0.47
PIK3C2A O00443 1/20 0.43
CHUK O15111 1/20 0.43
DAPK3 O43293 1/20 0.43
PIK3C2G O75747 1/20 0.43
RAF1 P04049 1/20 0.43
BRAF P15056 1/20 0.43
CSNK2A2 P19784 1/20 0.43

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
SCHEMBL624292 0.94 PIK3CA (0.56) PIK3CAMTORPIK3CGPIK3CBPIK3C2B
SCHEMBL623287 0.91 PIK3CA (0.46) PIK3CAMTORPIK3CGPIK3CBPIK3C2B
SCHEMBL623895 0.84 PIK3CA (0.47) PIK3CAMTORPIK3CGPIK3CBPIK3C2B
SCHEMBL623931 0.84 PIK3CA (0.55) PIK3CAMTORPIK3CGPIK3CBPIK3C2B
SCHEMBL622346 0.77 PIK3CA (0.58) PIK3CAMTORPIK3CGPIK3CBPIK3C2B
SCHEMBL623303 0.77 PIK3CA (0.57) PIK3CAMTORPIK3CGPIK3CBPIK3C2B
SCHEMBL624293 0.73 PIK3CA (0.41) PIK3CAMTOR
SCHEMBL2153656 0.72 MTOR (0.66) PIK3CAMTOR
SCHEMBL960303 0.71 PIK3CA (0.75) PIK3CAMTORPIK3CGPIK3CBPIK3C2B
SCHEMBL12473680 0.71 MTOR (0.57) PIK3CAMTORPIK3CGPIK3CBPIK3C2B

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
WO-2012020227-A1 TRICYCLIC COMPOUNDS FOR USE AS KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2012-02-16 WO disclosed