SCHEMBL901863

SCHEMBL901863

COC(=O)C[C@@H](C)C(=O)Nc1cc(Nc2cnccn2)nc(-c2ccnc(N3CCN(C(=O)O)CC3)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 14/20 0.56
DYRK1A Q13627 3/20 0.36
GSK3B P49841 1/20 0.35
MAPK10 P53779 1/20 0.35
FAAH O00519 1/20 0.34
RAF1 P04049 1/20 0.34
BRAF P15056 1/20 0.34

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
SCHEMBL1704514 0.91 KARS1 (0.54) KARS1
SCHEMBL901431 0.88 KARS1 (0.60) KARS1DYRK1AGSK3BFAAH
SCHEMBL901757 0.86 KARS1 (0.66) KARS1DYRK1ARAF1BRAF
SCHEMBL1704910 0.86 KARS1 (0.55) KARS1
SCHEMBL1704104 0.84 KARS1 (0.71) KARS1
SCHEMBL901439 0.84 KARS1 (0.55) KARS1DYRK1AMAPK10
SCHEMBL1704272 0.83 KARS1 (0.74) KARS1DYRK1ARAF1BRAF
SCHEMBL902144 0.83 KARS1 (0.59) KARS1DYRK1AMAPK10FAAH
SCHEMBL902078 0.83 KARS1 (0.52) KARS1MAPK10FAAH
SCHEMBL902079 0.83 KARS1 (0.70) KARS1DYRK1AGSK3BRAF1BRAF

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