SCHEMBL4714843

SCHEMBL4714843

NCCNc1ncc(C(N)=O)c(Nc2cccc(O)c2)n1

nearest known ligand 0.78

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SYK P43405 18/20 0.78
ZAP70 P43403 6/20 0.78
KCNH2 Q12809 1/20 0.78
AURKB Q96GD4 1/20 0.78
CAMK1D Q8IU85 1/20 0.74
PRKCE Q02156 1/20 0.73
BTK Q06187 1/20 0.73
ITK Q08881 1/20 0.73
STAT6 P42226 2/20 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
SCHEMBL29794716 0.88 SYK (1.00) SYKZAP70KCNH2AURKBCAMK1D
SCHEMBL374077 0.88 SYK (1.00) SYKZAP70KCNH2AURKBCAMK1D
SCHEMBL2383949 0.88 SYK (1.00) SYKZAP70KCNH2AURKBCAMK1D
SCHEMBL29794822 0.88 SYK (1.00) SYKZAP70KCNH2AURKBCAMK1D
SCHEMBL4713443 0.87 SYK (0.78) SYKZAP70KCNH2AURKBCAMK1D
Hydrochloric Acid SCHEMBL4711582 0.86 SYK (0.76) SYKZAP70KCNH2AURKBCAMK1D
SCHEMBL29794661 0.85 SYK (1.00) SYKZAP70KCNH2AURKBCAMK1D
SCHEMBL1222899 0.85 SYK (1.00) SYKZAP70KCNH2AURKBCAMK1D
SCHEMBL4712719 0.84 SYK (0.77) SYKZAP70KCNH2AURKBCAMK1D
SCHEMBL29794597 0.84 SYK (0.77) SYKZAP70KCNH2AURKBCAMK1D

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