SCHEMBL5767929

SCHEMBL5767929

Cc1cccc(C(O)c2ccc3nnc(-c4ccccc4)n3c2)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
HSD17B10 Q99714 1/20 0.42
DPP4 P27487 1/20 0.42
NT5E P21589 7/20 0.41
EPHX1 P07099 1/20 0.38
PIM1 P11309 5/20 0.38
MAPK14 Q16539 3/20 0.37
ABL1 P00519 1/20 0.37
PDGFRA P16234 1/20 0.37
CSNK1A1 P48729 1/20 0.37
CDK7 P50613 1/20 0.37
BTK Q06187 1/20 0.37
MAP4K2 Q12851 1/20 0.37
AURKB Q96GD4 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
DYRK1B Q9Y463 1/20 0.37
RAB9A P51151 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
SCHEMBL5765833 0.83 HSD11B1 (0.41) KDM4ENT5EPIM1MAPK14RAB9A
SCHEMBL5763633 0.81 MAPK14 (0.50) MAPK14
SCHEMBL9844320 0.73 KDM4E (0.49) KDM4EHSD17B10NT5EPIM1MAPK14
SCHEMBL30502803 0.72 ACP3 (0.55) EPHX1
SCHEMBL3859898 0.72 ACP3 (0.55) EPHX1
SCHEMBL477409 0.72 ACP3 (0.55) EPHX1
SCHEMBL5766533 0.72 MEN1 (0.45) KDM4EHSD17B10DPP4NT5EPIM1
SCHEMBL822105 0.71 ACHE (0.52) EPHX1
SCHEMBL14280077 0.70 HSD11B1 (0.43) KDM4EHSD17B10MAPK14RAB9A
SCHEMBL32665199 0.70 KDM4E (0.50) KDM4EHSD17B10DPP4NT5EPIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7321040-B2 Triazolo-pyridines as anti-inflammatory compounds PFIZER INC. (US) 2008-01-22 US disclosed
US-7321040-B2 Triazolo-pyridines as anti-inflammatory compounds PFIZER INC. (US) 2008-01-22 US disclosed
EP-1601672-B1 TRIAZOLO-PYRIDINES AS ANTI-INFLAMMATORY COMPOUNDS PFIZER PROD INC (US) 2006-07-26 EP disclosed