SCHEMBL4700783

SCHEMBL4700783

O=C(NC1CCN(c2ccncc2)CC1)Oc1n[nH]c(NC(=O)c2ccccc2Cl)c1Br

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 16/20 0.53
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
PAK1 Q13153 1/20 0.41
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
JAK2 O60674 1/20 0.39
TYK2 P29597 1/20 0.39

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
SCHEMBL4701724 0.89 BDKRB1 (0.42) BDKRB1MEN1KMT2APAK1MAPT
SCHEMBL4790289 0.89 SIGMAR1 (0.48) BDKRB1MEN1KMT2A
SCHEMBL14084897 0.88 BDKRB1 (0.60) BDKRB1MEN1KMT2APAK1JAK2
SCHEMBL4705398 0.88 BDKRB1 (0.59) BDKRB1
SCHEMBL4705774 0.87 BDKRB1 (0.50) BDKRB1MEN1KMT2APAK1
SCHEMBL4789977 0.86 BDKRB1 (0.46) BDKRB1MEN1KMT2A
SCHEMBL4703544 0.86 BDKRB1 (0.68) BDKRB1
SCHEMBL4788391 0.86 BDKRB1 (0.42) BDKRB1MEN1KMT2A
SCHEMBL4790284 0.85 ITGB1 (0.49) BDKRB1RAB9ATDP1
SCHEMBL4706230 0.85 CDK2 (0.48) BDKRB1MEN1KMT2AMAPTRAB9A

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