SCHEMBL901757

SCHEMBL901757

CC(=O)Nc1cc(Nc2cnccn2)nc(-c2ccnc(N3CCN(C(=O)O)CC3)c2)c1

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 14/20 0.66
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44
DYRK1A Q13627 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41
BRAF P15056 2/20 0.40
RAF1 P04049 1/20 0.40
SYK P43405 1/20 0.39

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
SCHEMBL1704272 0.92 KARS1 (0.74) KARS1DYRK1ABRAFRAF1
SCHEMBL901421 0.90 KARS1 (0.82) KARS1DYRK1A
SCHEMBL901791 0.89 KARS1 (0.81) KARS1DYRK1ABRAFRAF1
SCHEMBL1704905 0.89 KARS1 (0.83) KARS1RXFP1
SCHEMBL901889 0.88 KARS1 (0.81) KARS1
SCHEMBL1705215 0.88 KARS1 (0.62) KARS1SYK
SCHEMBL902036 0.88 KARS1 (0.81) KARS1DYRK1A
SCHEMBL902079 0.88 KARS1 (0.70) KARS1DYRK1ABRAFRAF1
SCHEMBL901833 0.88 KARS1 (0.72) KARS1DYRK1ABRAFRAF1
SCHEMBL902211 0.87 KARS1 (0.58) KARS1DYRK1ASYK

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