SCHEMBL4711601

SCHEMBL4711601

Cc1cccc(Nc2nc(NCCNS(C)(=O)=O)ncc2C(N)=O)c1

nearest known ligand 0.76

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SYK P43405 13/20 0.76
ZAP70 P43403 1/20 0.76
KCNH2 Q12809 1/20 0.76
AURKB Q96GD4 1/20 0.76
STAT6 P42226 7/20 0.69

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
SCHEMBL4713176 0.87 SYK (0.81) SYKZAP70KCNH2AURKBSTAT6
SCHEMBL29794716 0.87 SYK (1.00) SYKZAP70KCNH2AURKBSTAT6
SCHEMBL2383949 0.87 SYK (1.00) SYKZAP70KCNH2AURKBSTAT6
SCHEMBL1354433 0.86 SYK (0.86) SYKZAP70KCNH2AURKBSTAT6
SCHEMBL4713431 0.86 SYK (0.79) SYKZAP70KCNH2AURKBSTAT6
SCHEMBL12137100 0.82 SYK (0.79) SYKZAP70KCNH2AURKBSTAT6
Nitric Acid SCHEMBL4713713 0.81 SYK (0.70) SYKZAP70KCNH2AURKBSTAT6
SCHEMBL14975932 0.80 SYK (0.72) SYKZAP70KCNH2AURKBSTAT6
SCHEMBL14659023 0.80 SYK (0.72) SYKZAP70KCNH2AURKBSTAT6
SCHEMBL29761550 0.80 SYK (0.72) SYKZAP70KCNH2AURKBSTAT6

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