SCHEMBL901944

SCHEMBL901944

Cc1ccnc(Nc2cccc(-c3ccnc(N4CCC(NC(=O)O)CC4)c3)n2)c1

nearest known ligand 0.75

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 14/20 0.75
SYK P43405 2/20 0.45
CDK2 P24941 3/20 0.44
CDK1 P06493 1/20 0.44
SMG1 Q96Q15 1/20 0.44
CCNE1 P24864 2/20 0.43
MAP3K12 Q12852 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
SCHEMBL1705214 0.95 KARS1 (0.73) KARS1SYKMAP3K12
SCHEMBL901892 0.89 KARS1 (0.58) KARS1SYKCDK2CCNE1MAP3K12
SCHEMBL1704662 0.86 KARS1 (0.72) KARS1SYKCDK2CDK1SMG1
SCHEMBL1705137 0.85 KARS1 (1.00) KARS1SYKCDK2CDK1SMG1
SCHEMBL901693 0.84 KARS1 (0.68) KARS1SYKCDK2CDK1SMG1
SCHEMBL1704434 0.83 KARS1 (0.68) KARS1SYKCDK2CDK1SMG1
SCHEMBL1704952 0.82 KARS1 (1.00) KARS1SYKCDK2CDK1SMG1
SCHEMBL901824 0.81 KARS1 (1.00) KARS1
SCHEMBL902955 0.81 KARS1 (0.66) KARS1SYKMAP3K12
SCHEMBL901697 0.79 KARS1 (0.65) 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