SCHEMBL643117

SCHEMBL643117

O=C(NC1N=C(c2ccccc2)c2ccccc2NC1=O)c1cnccn1

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 17/20 0.67
CCKAR P32238 13/20 0.67
CBLB Q13191 1/20 0.60

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
SCHEMBL643231 0.88 CCKBR (0.71) CCKBRCCKAR
SCHEMBL20867001 0.84 CCKBR (0.52) CCKBRCCKARCBLB
SCHEMBL643031 0.84 CCKBR (0.74) CCKBRCCKAR
SCHEMBL3969962 0.83 CCKBR (0.58) CCKBRCCKAR
SCHEMBL641924 0.83 CCKBR (0.83) CCKBRCCKAR
SCHEMBL642047 0.82 CCKBR (0.91) CCKBRCCKAR
SCHEMBL2180869 0.81 CCKBR (0.72) CCKBRCCKAR
SCHEMBL18394473 0.81 CCKBR (0.76) CCKBRCCKAR
SCHEMBL2930364 0.81 CCKBR (0.76) CCKBRCCKAR
SCHEMBL18394863 0.81 CCKBR (0.76) CCKBRCCKAR

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