SCHEMBL4716047

SCHEMBL4716047

Cc1ccc(Nc2nc(NCCN)ncc2C(N)=O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SYK P43405 16/20 1.00
ZAP70 P43403 6/20 1.00
KCNH2 Q12809 2/20 0.76
AURKB Q96GD4 2/20 0.76
CAMK1D Q8IU85 1/20 0.62
MAPK8 P45983 4/20 0.61
PRKCE Q02156 1/20 0.61
BTK Q06187 1/20 0.61
ITK Q08881 1/20 0.61
MAPK3 P27361 1/20 0.58
MAPK1 P28482 1/20 0.58

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
SCHEMBL1354236 0.89 SYK (1.00) SYKZAP70KCNH2AURKB
SCHEMBL29794716 0.86 SYK (1.00) SYKZAP70KCNH2AURKBCAMK1D
SCHEMBL2383949 0.86 SYK (1.00) SYKZAP70KCNH2AURKBCAMK1D
SCHEMBL14976169 0.84 SYK (0.72) SYKZAP70
SCHEMBL14976172 0.84 SYK (0.72) SYKZAP70
SCHEMBL14976220 0.83 SYK (0.70) SYKZAP70KCNH2AURKBMAPK8
SCHEMBL4712719 0.83 SYK (0.77) SYKZAP70KCNH2AURKBCAMK1D
SCHEMBL29794597 0.83 SYK (0.77) SYKZAP70KCNH2AURKBCAMK1D
SCHEMBL28110005 0.81 MAPK8 (0.71) SYKZAP70KCNH2AURKBMAPK8
SCHEMBL13733951 0.81 SYK (0.69) 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