SCHEMBL1705137

SCHEMBL1705137

Cc1ccnc(Nc2cccc(-c3ccnc(N4CCC(N)CC4)c3)n2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 14/20 1.00
SYK P43405 3/20 0.47
CDK1 P06493 1/20 0.47
CDK2 P24941 1/20 0.47
SMG1 Q96Q15 1/20 0.47
PAK4 O96013 1/20 0.44
PAK1 Q13153 1/20 0.44
DPP4 P27487 1/20 0.42

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
SCHEMBL1704952 0.94 KARS1 (1.00) KARS1SYKCDK1CDK2SMG1
SCHEMBL902780 0.88 KARS1 (0.78) KARS1SYK
SCHEMBL901944 0.85 KARS1 (0.75) KARS1SYKCDK1CDK2SMG1
SCHEMBL901824 0.85 KARS1 (1.00) KARS1DPP4
SCHEMBL1705214 0.82 KARS1 (0.73) KARS1SYK
SCHEMBL1704662 0.82 KARS1 (0.72) KARS1SYKCDK1CDK2SMG1
SCHEMBL902162 0.82 KARS1 (1.00) KARS1DPP4
SCHEMBL901693 0.81 KARS1 (0.68) KARS1SYKCDK1CDK2SMG1
SCHEMBL1704434 0.79 KARS1 (0.68) KARS1SYKCDK1CDK2SMG1
SCHEMBL902955 0.78 KARS1 (0.66) 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 4 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 claimed
EP-2441755-A1 Pyridine- and isoquinoline-derivatives as Syk and JAK kinase inhibitors Almirall, S.A. (ES) 2012-04-18 EP disclosed
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