SCHEMBL7861811

SCHEMBL7861811

COC(=O)Nc1nc2ccc(-c3ccc4c(c3)CN(C(=O)N3C5CCC3CC(C)(O)C5)CCO4)cc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 11/20 0.45
▸ PIK3CG P48736 1/20 0.40
▸ CREBBP Q92793 1/20 0.40
▸ GPR142 Q7Z601 3/20 0.39
▸ LMNA P02545 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ RAF1 P04049 3/20 0.38
▸ BRAF P15056 3/20 0.38

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
SCHEMBL7878884 0.92 PIK3CA (0.48) PIK3CAPIK3CGCREBBPGPR142LMNA
SCHEMBL13173995 0.90 PIK3CA (0.46) PIK3CAPIK3CGCREBBPGPR142LMNA
SCHEMBL13173994 0.87 PIK3CA (0.48) PIK3CACREBBPGPR142LMNAPOLB
SCHEMBL3792896 0.87 PIK3CA (0.59) PIK3CACREBBP
SCHEMBL7878242 0.85 PIK3CA (0.48) PIK3CAPIK3CGCREBBPGPR142LMNA
SCHEMBL12979899 0.84 PIK3CA (0.50) PIK3CAPIK3CGCREBBPGPR142
SCHEMBL13174050 0.83 PIK3CA (0.46) PIK3CAPIK3CGCREBBPGPR142LMNA
SCHEMBL15433927 0.83 PIK3CG (0.41) PIK3CAPIK3CGLMNAPOLBHPGD
SCHEMBL13173983 0.82 PIK3CA (0.48) PIK3CACREBBPGPR142LMNAPOLB
SCHEMBL7877195 0.82 PIK3CA (0.48) PIK3CAPIK3CGCREBBPGPR142LMNA

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
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