SCHEMBL901892

SCHEMBL901892

Cc1ccnc(Nc2cccc(-c3cccc(N4CCC(NC(=O)O)CC4)c3)n2)c1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 14/20 0.58
PHGDH O43175 1/20 0.49
CARM1 Q86X55 1/20 0.48
PRMT6 Q96LA8 1/20 0.48
PRMT8 Q9NR22 1/20 0.48
MAP3K12 Q12852 1/20 0.45
SYK P43405 2/20 0.43
CCNE1 P24864 1/20 0.43
CDK2 P24941 1/20 0.43

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
SCHEMBL901944 0.89 KARS1 (0.75) KARS1MAP3K12SYKCCNE1CDK2
SCHEMBL902780 0.85 KARS1 (0.78) KARS1PHGDHCARM1PRMT6PRMT8
SCHEMBL1705214 0.85 KARS1 (0.73) KARS1MAP3K12SYK
SCHEMBL1704098 0.84 KARS1 (0.54) KARS1PHGDHCARM1PRMT6PRMT8
SCHEMBL901929 0.77 KARS1 (0.55) KARS1MAP3K12SYK
SCHEMBL13136529 0.75 SYK (0.52) KARS1MAP3K12SYKCCNE1CDK2
SCHEMBL1704662 0.74 KARS1 (0.72) KARS1MAP3K12SYKCDK2
SCHEMBL1705137 0.74 KARS1 (1.00) KARS1SYKCDK2
SCHEMBL901693 0.74 KARS1 (0.68) KARS1MAP3K12SYKCDK2
SCHEMBL901655 0.73 KARS1 (0.70) KARS1SYK

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2441755-A1 Pyridine- and isoquinoline-derivatives as Syk and JAK kinase inhibitors Almirall, S.A. (ES) 2012-04-18 EP disclosed
WO-2012041476-A1 PYRIDINE AND ISOQUINOLINE DERIVATIVES AS SYK- AND JAK-KINASE INHIBITORS ALMIRALL, S.A. (ES) 2012-04-05 WO disclosed