SCHEMBL901439

SCHEMBL901439

COC(=O)CCCNc1cc(Nc2cnccn2)nc(-c2ccnc(N3CCN(C(=O)O)CC3)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 16/20 0.55
DYRK1A Q13627 1/20 0.38
MAPK10 P53779 2/20 0.36
SYK P43405 1/20 0.36

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
SCHEMBL902211 0.91 KARS1 (0.58) KARS1DYRK1ASYK
SCHEMBL1705089 0.90 KARS1 (0.52) KARS1SYK
SCHEMBL1704693 0.87 KARS1 (0.59) KARS1
SCHEMBL1704272 0.85 KARS1 (0.74) KARS1DYRK1A
SCHEMBL902630 0.85 KARS1 (0.52) KARS1SYK
SCHEMBL901757 0.84 KARS1 (0.66) KARS1DYRK1ASYK
SCHEMBL901863 0.84 KARS1 (0.56) KARS1DYRK1AMAPK10
SCHEMBL902078 0.84 KARS1 (0.52) KARS1MAPK10
SCHEMBL902224 0.83 KARS1 (0.55) KARS1DYRK1AMAPK10
SCHEMBL901800 0.83 KARS1 (0.78) 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