SCHEMBL4366400

SCHEMBL4366400

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

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 2/20 0.40
ADAMTS5 Q9UNA0 2/20 0.39
MAPKAPK2 P49137 14/20 0.38
NR3C2 P08235 1/20 0.35
PDGFRA P16234 2/20 0.35
AURKB Q96GD4 2/20 0.35
CSNK1G1 Q9HCP0 2/20 0.35
MAPK1 P28482 1/20 0.35
MAPK14 Q16539 1/20 0.35
ALDH1A1 P00352 1/20 0.34
FYN P06241 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
SCHEMBL4370733 0.86 MAPKAPK2 (0.38) CXCR2ADAMTS5MAPKAPK2NR3C2PDGFRA
SCHEMBL4370003 0.83 MAPKAPK2 (0.50) CXCR2ADAMTS5MAPKAPK2NR3C2PDGFRA
SCHEMBL4364985 0.74 SMN1; SMN2 (0.38) CXCR2ADAMTS5NR3C2MAPK1ALDH1A1
SCHEMBL8768875 0.72 CXCR2 (0.43) CXCR2ADAMTS5NR3C2
SCHEMBL4366404 0.70 FES (0.56) CXCR2MAPKAPK2AURKBCSNK1G1
SCHEMBL8769026 0.70 ADAMTS5 (0.46) CXCR2ADAMTS5NR3C2
SCHEMBL8768157 0.66 CXCR2 (0.45) CXCR2ALDH1A1
SCHEMBL8767798 0.66 ABCC9 (0.53) CXCR2ADAMTS5NR3C2ALDH1A1
SCHEMBL8768638 0.64 ADAMTS5 (0.44) CXCR2ADAMTS5
SCHEMBL9381224 0.60 MAPT (0.56) NR3C2ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

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