SCHEMBL4704248

SCHEMBL4704248

O=C(NC1Cc2ccccc2NC1=O)Oc1n[nH]c(NC(=O)c2ccccc2Cl)c1Br

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PYGL P06737 7/20 0.48
PYGM P11217 5/20 0.48
BDKRB1 P46663 7/20 0.42
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
CCNA1 P78396 1/20 0.38
CCKBR P32239 2/20 0.37
RIPK1 Q13546 1/20 0.35

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
SCHEMBL6046000 0.88 PYGL (0.52) PYGLPYGMBDKRB1CCNA2CDK2
SCHEMBL4703604 0.85 BDKRB1 (0.39) BDKRB1CCNA2CDK2CCNA1CCKBR
SCHEMBL4790213 0.84 BDKRB1 (0.41) BDKRB1CCNA2CDK2CCNA1
SCHEMBL4701455 0.83 PYGL (0.49) PYGLPYGMBDKRB1CCNA2CDK2
SCHEMBL4790164 0.81 BDKRB1 (0.39) PYGLPYGMBDKRB1CCNA2CDK2
SCHEMBL4705242 0.80 BDKRB1 (0.65) BDKRB1CCNA2CDK2CCNA1
SCHEMBL4705006 0.80 BDKRB1 (0.65) BDKRB1CCNA2CDK2CCNA1
SCHEMBL4702656 0.80 MAPK1 (0.42) BDKRB1CCNA2CDK2CCNA1
SCHEMBL6047127 0.79 PYGL (0.53) PYGLPYGMBDKRB1RIPK1
SCHEMBL4706230 0.78 CDK2 (0.48) BDKRB1CCNA2CDK2CCNA1

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
EP-1633348-B1 4- BROMO - 5 - (2- CHLORO - BENZOYLAMINO) - 1H - PYRAZOLE - 3 - CARBOXYLIC ACID AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B sb 1 /sb RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES ELAN PHARM INC (US) 2008-10-08 EP claimed