SCHEMBL4370733

SCHEMBL4370733

CCN(c1ccccc1)c1c(Nc2ccnc(Cl)c2)c(=O)c1=O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 11/20 0.38
ADAMTS5 Q9UNA0 2/20 0.36
NR3C2 P08235 1/20 0.35
SMARCA2 P51531 2/20 0.35
SMARCA4 P51532 2/20 0.35
CXCR2 P25025 1/20 0.35
PDGFRA P16234 1/20 0.35
MAPK1 P28482 1/20 0.35
AURKB Q96GD4 1/20 0.35
CSNK1G1 Q9HCP0 1/20 0.35
MAPK14 Q16539 1/20 0.35
BUB1 O43683 1/20 0.35
ALDH1A1 P00352 1/20 0.34
GRM4 Q14833 1/20 0.34

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
SCHEMBL4366400 0.86 CXCR2 (0.40) MAPKAPK2ADAMTS5NR3C2CXCR2PDGFRA
SCHEMBL4370003 0.83 MAPKAPK2 (0.50) MAPKAPK2ADAMTS5NR3C2CXCR2PDGFRA
SCHEMBL8767825 0.74 CXCR2 (0.44) CXCR2MAPK1ALDH1A1
SCHEMBL4364985 0.74 SMN1; SMN2 (0.38) ADAMTS5NR3C2CXCR2MAPK1ALDH1A1
SCHEMBL8768875 0.72 CXCR2 (0.43) ADAMTS5NR3C2CXCR2
SCHEMBL4370740 0.70 FLT4 (0.56) MAPKAPK2CXCR2MAPK1AURKBCSNK1G1
SCHEMBL4371397 0.70 MAPKAPK2 (0.72) MAPKAPK2PDGFRAMAPK1AURKBCSNK1G1
SCHEMBL16102053 0.70 MAPKAPK2 (0.72) MAPKAPK2PDGFRAMAPK1AURKBCSNK1G1
SCHEMBL8769026 0.70 ADAMTS5 (0.46) ADAMTS5NR3C2CXCR2
SCHEMBL16100308 0.68 POLB (0.42) MAPKAPK2SMARCA2SMARCA4AURKBGRM4

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
WO-2009012375-A2 SQUARATE KINASE INHIBITORS WYETH (US) 2009-01-22 WO disclosed