SCHEMBL644101

SCHEMBL644101

O=C(NC1N=C(c2ccccc2)c2ccccc2NC1=O)c1csc2ccccc12

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 17/20 0.70
CCKAR P32238 13/20 0.70
CBLB Q13191 2/20 0.56

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
SCHEMBL9525246 0.82 CCKBR (1.00) CCKBRCCKARCBLB
SCHEMBL9525234 0.82 CCKBR (1.00) CCKBRCCKARCBLB
SCHEMBL6065542 0.82 CCKBR (0.51) CCKBRCCKAR
SCHEMBL3962406 0.81 CCKBR (0.78) CCKBRCCKARCBLB
SCHEMBL642995 0.81 CCKBR (0.78) CCKBRCCKARCBLB
SCHEMBL9526459 0.81 CCKBR (1.00) CCKBRCCKAR
SCHEMBL9526467 0.81 CCKBR (1.00) CCKBRCCKAR
SCHEMBL642047 0.81 CCKBR (0.91) CCKBRCCKAR
SCHEMBL643231 0.80 CCKBR (0.71) CCKBRCCKAR
SCHEMBL644320 0.80 CCKBR (0.77) CCKBRCCKARCBLB

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
US-8119630-B2 Benzodiazepine derivatives and pharmaceutical compositions containing them ARROW THERAPEUTICS LIMITED (GB) 2012-02-21 US disclosed