SCHEMBL7817699

SCHEMBL7817699

C=C(OC)c1ccc(-c2ccc3c(c2)CN(c2ccnc4ccccc24)CCO3)cc1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 5/20 0.51
GPR142 Q7Z601 9/20 0.47
PIK3CA P42336 3/20 0.40
MTOR P42345 1/20 0.38
GBA1 P04062 1/20 0.37
ADRB2 P07550 1/20 0.37
NCF1 P14598 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
SCHEMBL3802603 0.90 CREBBP (0.54) CREBBPGPR142PIK3CAMTOR
SCHEMBL856548 0.86 CREBBP (0.59) CREBBPGPR142PIK3CAMTOR
SCHEMBL13056560 0.86 CREBBP (0.52) CREBBPGPR142PIK3CAMTORGBA1
SCHEMBL859534 0.84 CREBBP (0.52) CREBBPGPR142PIK3CAMTOR
SCHEMBL857156 0.83 CREBBP (0.51) CREBBPGPR142PIK3CAMTORGBA1
SCHEMBL856266 0.83 CREBBP (0.51) CREBBPGPR142PIK3CAMTOR
SCHEMBL858502 0.83 CREBBP (0.50) CREBBPGPR142PIK3CAMTORGBA1
SCHEMBL856776 0.81 CREBBP (0.48) CREBBPGPR142PIK3CAMTORGBA1
SCHEMBL3768497 0.80 CREBBP (0.47) CREBBPGPR142PIK3CAMTORGBA1
SCHEMBL857215 0.80 CREBBP (0.51) CREBBPGPR142PIK3CAMTORGBA1

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-2010135568-A1 BENZOXAZEPINES AS INHIBITORS OF MTOR AND THEIR USE TO TREAT CANCER EXELIXIS, INC. (US) 2010-11-25 WO disclosed