SCHEMBL4790676

SCHEMBL4790676

O=C(N[C@H]1CC[C@H](O)CC1)Oc1n[nH]c(NC(=O)c2ccccc2Cl)c1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 2/20 0.42
CCNA1 P78396 2/20 0.42
CCNA2 P20248 1/20 0.42
BDKRB1 P46663 9/20 0.42
ITGB1 P05556 1/20 0.41
ITGA4 P13612 1/20 0.41
ITGB7 P26010 1/20 0.41
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
BTK Q06187 1/20 0.38
KMT2A Q03164 2/20 0.38
F2 P00734 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.38
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
P2RX7 Q99572 1/20 0.37
TDP1 Q9NUW8 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
SCHEMBL4790284 0.91 ITGB1 (0.49) CDK2CCNA1CCNA2BDKRB1ITGB1
SCHEMBL4706230 0.91 CDK2 (0.48) CDK2CCNA1CCNA2BDKRB1ITGB1
SCHEMBL4705774 0.88 BDKRB1 (0.50) CDK2CCNA1CCNA2BDKRB1ITGB1
SCHEMBL4790213 0.87 BDKRB1 (0.41) CDK2CCNA1CCNA2BDKRB1ITGB1
SCHEMBL14084821 0.86 CDK2 (0.45) CDK2CCNA1CCNA2BDKRB1RAB9A
SCHEMBL4705194 0.86 BDKRB1 (0.45) CDK2CCNA1CCNA2BDKRB1ITGB1
SCHEMBL4700796 0.85 BDKRB1 (0.42) CDK2CCNA1CCNA2BDKRB1KMT2A
SCHEMBL4700955 0.85 SIGMAR1 (0.48) KMT2AMEN1
SCHEMBL4789701 0.84 BDKRB1 (0.46) CDK2CCNA1CCNA2BDKRB1ITGB1
SCHEMBL4703703 0.84 MEN1 (0.46) BDKRB1KMT2ASMN1; SMN2MEN1

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