SCHEMBL622346

SCHEMBL622346

Oc1cccc(-c2nc(N3CCOCC3)c3sc4c(c3n2)CNCC4)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.58
MTOR P42345 10/20 0.56
PIK3CG P48736 10/20 0.55
PIK3CB P42338 5/20 0.55
PIK3C2B O00750 3/20 0.55
CCNE2 O96020 1/20 0.55
PRKACA P17612 1/20 0.55
PRKACG P22612 1/20 0.55
PRKACB P22694 1/20 0.55
CCNE1 P24864 1/20 0.55
CDK2 P24941 1/20 0.55
KDR P35968 1/20 0.55
PIK3CD O00329 4/20 0.51
PIK3C2A O00443 1/20 0.49
CHUK O15111 1/20 0.49
DAPK3 O43293 1/20 0.49
PIK3C2G O75747 1/20 0.49
RAF1 P04049 1/20 0.49
BRAF P15056 1/20 0.49
CSNK2A2 P19784 1/20 0.49

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
SCHEMBL624965 0.80 MTOR (0.61) PIK3CAMTORPIK3CGPIK3CBPIK3CD
SCHEMBL622969 0.77 PIK3CA (0.55) PIK3CAMTORPIK3CGPIK3CBPIK3C2B
SCHEMBL624292 0.75 PIK3CA (0.56) PIK3CAMTORPIK3CGPIK3CBPIK3C2B
SCHEMBL10092302 0.74 PIK3CA (0.78) PIK3CAMTORPIK3CGPIK3CBPIK3C2B
SCHEMBL12464274 0.74 PIK3CA (0.64) PIK3CAMTORPIK3CGPIK3CBPIK3C2B
SCHEMBL12464157 0.72 PIK3CA (1.00) PIK3CAMTORPIK3CGPIK3CBPIK3C2B
SCHEMBL28799921 0.72 PIK3CA (0.77) PIK3CAMTORPIK3CGPIK3CBPIK3C2B
SCHEMBL959704 0.72 PIK3CA (0.80) PIK3CAMTORPIK3CGPIK3CBPIK3C2B
SCHEMBL258501 0.72 PIK3CA (1.00) PIK3CAMTORPIK3CGPIK3CBPIK3C2B
SCHEMBL29395747 0.72 PIK3CA (1.00) 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