SCHEMBL3799784

SCHEMBL3799784

COc1ccc(C2CCCCN2C(=O)N2CCOc3ccc(-c4ccc5nc(C)[nH]c5c4)cc3C2)cc1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 6/20 0.54
SCD5 Q86SK9 3/20 0.41
CREBBP Q92793 2/20 0.41
HCRTR1 O43613 3/20 0.40
HCRTR2 O43614 3/20 0.40
GPR142 Q7Z601 3/20 0.40
TERT O14746 2/20 0.39
SCD O00767 2/20 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
SCHEMBL3791617 0.93 PIK3CA (0.56) PIK3CACREBBPTERT
SCHEMBL3789154 0.92 PIK3CA (0.57) PIK3CASCD5CREBBPHCRTR1HCRTR2
SCHEMBL2733019 0.91 PIK3CA (0.57) PIK3CASCD5CREBBPGPR142TERT
SCHEMBL3798622 0.91 PIK3CA (0.55) PIK3CACREBBPGPR142TERT
SCHEMBL7881809 0.91 PIK3CA (0.56) PIK3CACREBBPGPR142
SCHEMBL6126363 0.91 PIK3CA (0.56) PIK3CACREBBPGPR142
SCHEMBL2724235 0.91 PIK3CA (0.56) PIK3CACREBBPGPR142
SCHEMBL7880624 0.90 PIK3CA (0.56) PIK3CACREBBPGPR142
SCHEMBL6126319 0.90 PIK3CA (0.54) PIK3CACREBBP
SCHEMBL3791762 0.89 PIK3CA (0.52) PIK3CACREBBPHCRTR1HCRTR2GPR142

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