SCHEMBL3793252

SCHEMBL3793252

Cc1nc2ccc(-c3ccc4c(c3)CN(C(=O)N3CCC(CF)CC3)CCO4)cc2[nH]1

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 16/20 0.62
CREBBP Q92793 3/20 0.43
GPR142 Q7Z601 1/20 0.39

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
SCHEMBL3788978 0.92 PIK3CA (0.61) PIK3CACREBBP
SCHEMBL3799035 0.92 PIK3CA (0.61) PIK3CACREBBPGPR142
SCHEMBL3796011 0.91 PIK3CA (0.66) PIK3CACREBBPGPR142
SCHEMBL3798408 0.91 PIK3CA (0.62) PIK3CACREBBP
SCHEMBL2725723 0.90 PIK3CA (0.50) PIK3CACREBBPGPR142
SCHEMBL3794536 0.90 PIK3CA (0.64) PIK3CACREBBPGPR142
SCHEMBL3794123 0.90 PIK3CA (0.64) PIK3CACREBBP
SCHEMBL2725831 0.90 PIK3CA (0.64) PIK3CACREBBP
SCHEMBL2726054 0.90 PIK3CA (0.51) PIK3CACREBBPGPR142
SCHEMBL3795779 0.89 PIK3CA (0.60) PIK3CACREBBP

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-2010138490-A1 BENZOXAZEPINES AS INHIBITORS OF MTOR AND METHODS OF THEIR USE AND MANUFACTURE EXELIXIS, INC. (US) 2010-12-02 WO disclosed