SCHEMBL3798622

SCHEMBL3798622

Cc1nc2ccc(-c3ccc4c(c3)CN(C(=O)N3CCCCC3c3ccc(Cl)cc3)CCO4)cc2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 13/20 0.55
CREBBP Q92793 1/20 0.39
CCNC P24863 2/20 0.39
CDK8 P49336 2/20 0.39
HSD11B1 P28845 1/20 0.38
TERT O14746 2/20 0.37
GPR142 Q7Z601 1/20 0.37

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
SCHEMBL3791617 0.94 PIK3CA (0.56) PIK3CACREBBPHSD11B1TERT
SCHEMBL3814355 0.93 PIK3CA (0.54) PIK3CACREBBPHSD11B1GPR142
SCHEMBL2733019 0.92 PIK3CA (0.57) PIK3CACREBBPHSD11B1TERTGPR142
SCHEMBL6126363 0.92 PIK3CA (0.56) PIK3CACREBBPHSD11B1GPR142
SCHEMBL2724235 0.92 PIK3CA (0.56) PIK3CACREBBPHSD11B1GPR142
SCHEMBL7881809 0.92 PIK3CA (0.56) PIK3CACREBBPHSD11B1GPR142
SCHEMBL2725382 0.92 PIK3CA (0.54) PIK3CACREBBPHSD11B1GPR142
SCHEMBL2726522 0.92 PIK3CA (0.53) PIK3CACREBBPHSD11B1GPR142
SCHEMBL7880624 0.92 PIK3CA (0.56) PIK3CACREBBPHSD11B1GPR142
SCHEMBL6126319 0.91 PIK3CA (0.54) PIK3CACREBBPHSD11B1

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