SCHEMBL901964

SCHEMBL901964

COc1cccc(CC(=O)Nc2cc(Nc3cnccn3)nc(-c3ccnc(N4CCN(C(=O)O)CC4)c3)c2)c1

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 13/20 0.67
CYP3A4 P08684 3/20 0.48
ROCK1 Q13464 3/20 0.48
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
SYK P43405 1/20 0.44
PRKACA P17612 1/20 0.43

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
SCHEMBL1704400 0.91 KARS1 (0.63) KARS1CYP3A4ROCK1HTTSYK
SCHEMBL901829 0.91 KARS1 (0.81) KARS1CYP3A4ROCK1HTT
SCHEMBL901834 0.90 KARS1 (0.82) KARS1SYK
SCHEMBL901656 0.88 KARS1 (0.63) KARS1
SCHEMBL901935 0.85 KARS1 (0.65) KARS1
SCHEMBL901973 0.85 KARS1 (0.69) KARS1MAPTSYK
SCHEMBL902144 0.84 KARS1 (0.59) KARS1SYK
SCHEMBL902224 0.84 KARS1 (0.55) KARS1
SCHEMBL901757 0.84 KARS1 (0.66) KARS1SYK
SCHEMBL1704964 0.82 KARS1 (0.74) KARS1SYK

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