SCHEMBL4715151

SCHEMBL4715151

Cc1cc(Nc2nc(NC3CCCCC3N)ncc2C(N)=O)cc(C)c1C

nearest known ligand 0.83

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SYK P43405 20/20 0.83
MAPK3 P27361 3/20 0.78
MAPK1 P28482 3/20 0.78
KCNH2 Q12809 3/20 0.78
AURKB Q96GD4 3/20 0.78
GP6 Q9HCN6 1/20 0.75

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
SCHEMBL4715156 1.00 SYK (0.83) SYKMAPK3MAPK1KCNH2AURKB
SCHEMBL1353793 0.91 SYK (1.00) SYKMAPK3MAPK1KCNH2AURKB
SCHEMBL1353792 0.91 SYK (1.00) SYKMAPK3MAPK1KCNH2AURKB
SCHEMBL16195116 0.88 SYK (1.00) SYKMAPK3MAPK1KCNH2AURKB
SCHEMBL4710859 0.88 SYK (0.76) SYKMAPK3MAPK1KCNH2AURKB
SCHEMBL4710858 0.88 SYK (0.76) SYKMAPK3MAPK1KCNH2AURKB
SCHEMBL16194748 0.87 SYK (0.81) SYKMAPK3MAPK1KCNH2AURKB
SCHEMBL2627287 0.87 SYK (1.00) SYKMAPK3MAPK1KCNH2AURKB
SCHEMBL1355005 0.87 SYK (1.00) SYKMAPK3MAPK1KCNH2AURKB
SCHEMBL2386521 0.86 SYK (1.00) SYKMAPK3MAPK1KCNH2AURKB

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 1 patent. 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 claimed