SCHEMBL4790213

SCHEMBL4790213

O=C(NC1Cc2ccccc2C1)Oc1n[nH]c(NC(=O)c2ccccc2Cl)c1Br

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 11/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
CCNA1 P78396 1/20 0.41
PRMT5 O14744 1/20 0.40
NPY5R Q15761 1/20 0.39
F2 P00734 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
ITGB1 P05556 1/20 0.37
ITGA4 P13612 1/20 0.37
ITGB7 P26010 1/20 0.37
GPR35 Q9HC97 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
SCHEMBL4706230 0.88 CDK2 (0.48) BDKRB1CCNA2CDK2CCNA1F2
SCHEMBL4790284 0.88 ITGB1 (0.49) BDKRB1CCNA2CDK2CCNA1ITGB1
SCHEMBL4790676 0.87 CDK2 (0.42) BDKRB1CCNA2CDK2CCNA1F2
SCHEMBL4705774 0.87 BDKRB1 (0.50) BDKRB1CCNA2CDK2CCNA1KMT2A
SCHEMBL4702656 0.86 MAPK1 (0.42) BDKRB1CCNA2CDK2CCNA1F2
SCHEMBL4705979 0.86 BDKRB1 (0.45) BDKRB1CCNA2CDK2CCNA1PRMT5
SCHEMBL4790164 0.85 BDKRB1 (0.39) BDKRB1CCNA2CDK2CCNA1F2
SCHEMBL4702034 0.84 BDKRB1 (0.42) BDKRB1CCNA2CDK2CCNA1F2
SCHEMBL4700796 0.84 BDKRB1 (0.42) BDKRB1CCNA2CDK2CCNA1KMT2A
SCHEMBL4704248 0.84 PYGL (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