SCHEMBL4716452

SCHEMBL4716452

Cc1cccc(Nc2nc(Cl)ncc2C(=O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.56
SYK P43405 15/20 0.55
AURKB Q96GD4 4/20 0.52
KCNH2 Q12809 3/20 0.52
ZAP70 P43403 1/20 0.52
NFKB1 P19838 1/20 0.49
AURKA O14965 1/20 0.48
MAPK8 P45983 1/20 0.48
STAT6 P42226 1/20 0.48
AKR1C3 P42330 1/20 0.47
AKR1C2 P52895 1/20 0.47
MAPK3 P27361 1/20 0.47
MAPK1 P28482 1/20 0.47
GP6 Q9HCN6 1/20 0.47

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
SCHEMBL2386114 0.90 EGFR (0.56) EGFRSYKAURKBKCNH2ZAP70
SCHEMBL2385591 0.89 SYK (0.69) SYKAURKBKCNH2ZAP70STAT6
SCHEMBL2627348 0.88 SYK (0.47) SYKNFKB1AKR1C3AKR1C2
SCHEMBL2386728 0.88 STAT6 (0.59) EGFRSYKAURKBKCNH2ZAP70
SCHEMBL2386230 0.84 SYK (0.59) EGFRSYKAURKBKCNH2ZAP70
SCHEMBL4711606 0.84 SYK (0.48) SYKAURKBKCNH2ZAP70AKR1C3
SCHEMBL10251065 0.82 AKR1C3 (0.51) SYKAURKBKCNH2ZAP70NFKB1
SCHEMBL2627208 0.81 SYK (0.54) SYKZAP70
SCHEMBL27615184 0.81 SYK (0.47) SYKAURKBKCNH2ZAP70
SCHEMBL9945496 0.81 EGFR (0.61) EGFRSYKNFKB1AURKAMAPK1

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
EP-1054004-B1 NOVEL PYRIMIDINE-5-CARBOXAMIDE DERIVATIVES ASTELLAS PHARMA INC (JP) 2008-07-16 EP disclosed
US-6432963-B1 ANTIINFLAMMATORY AGENTS; TYROSINE KINASE INHIBITOR YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2002-08-13 US disclosed
EP-1054004-A1 NOVEL PYRIMIDINE-5-CARBOXAMIDE DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2000-11-22 EP disclosed