SCHEMBL901965

SCHEMBL901965

CC(C)(C)OC(=O)C[C@@H](CC1CCCCC1)C(=O)Nc1cc(Nc2cnccn2)nc(-c2ccnc(N3CCN(C(=O)O)CC3)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 13/20 0.53
SYK P43405 4/20 0.37
PRKD1 Q15139 2/20 0.34
PRKD2 Q9BZL6 2/20 0.34
GPR119 Q8TDV5 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
SCHEMBL1704730 0.95 KARS1 (0.55) KARS1SYKGPR119
SCHEMBL1704395 0.88 KARS1 (0.53) KARS1SYK
SCHEMBL1704582 0.84 KARS1 (0.53) KARS1SYKGPR119
SCHEMBL1704552 0.83 KARS1 (0.67) KARS1PRKD1PRKD2
SCHEMBL902572 0.82 KARS1 (0.69) KARS1SYKGPR119
SCHEMBL901863 0.81 KARS1 (0.56) KARS1
SCHEMBL901895 0.81 KARS1 (0.52) KARS1
SCHEMBL902091 0.81 KARS1 (0.58) KARS1SYKPRKD1PRKD2
SCHEMBL902792 0.80 KARS1 (0.53) KARS1SYKGPR119
SCHEMBL1704910 0.80 KARS1 (0.55) KARS1SYKGPR119

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