SCHEMBL901535

SCHEMBL901535

O=C(O)c1cccc(C(=O)Nc2cc(Nc3cnccn3)nc(-c3cccc(C4=CCNCC4)c3)c2)c1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 13/20 0.58
SIRT2 Q8IXJ6 1/20 0.42
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
ABL1 P00519 2/20 0.39
P2RY14 Q15391 1/20 0.37
BCR P11274 1/20 0.37
PRKCA P17252 1/20 0.37

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
SCHEMBL901298 0.94 KARS1 (0.64) KARS1SIRT2JAK2JAK1TYK2
SCHEMBL1755681 0.94 KARS1 (0.56) KARS1SIRT2JAK2JAK1TYK2
SCHEMBL902309 0.81 KARS1 (0.49) KARS1
SCHEMBL902055 0.80 KARS1 (0.88) KARS1
SCHEMBL1755672 0.80 KARS1 (0.49) KARS1
SCHEMBL901538 0.79 KARS1 (0.60) KARS1
SCHEMBL901769 0.78 KARS1 (0.60) KARS1SIRT2JAK2JAK1TYK2
SCHEMBL1704307 0.75 KARS1 (0.49) KARS1SIRT2ABL1
SCHEMBL1704666 0.74 KARS1 (0.51) KARS1
SCHEMBL1705115 0.74 KARS1 (0.55) KARS1JAK1

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
WO-2012041476-A1 PYRIDINE AND ISOQUINOLINE DERIVATIVES AS SYK- AND JAK-KINASE INHIBITORS ALMIRALL, S.A. (ES) 2012-04-05 WO claimed
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