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SCHEMBL901829

SCHEMBL901829

COc1cccc(CC(=O)Nc2cc(Nc3cnccn3)nc(-c3ccnc(N4CCNCC4)c3)c2)c1

nearest known ligand 0.81

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ KARS1 Q15046 16/20 0.81
▸ CYP3A4 P08684 3/20 0.48
▸ ROCK1 Q13464 2/20 0.48
▸ HTT P42858 1/20 0.45

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
SCHEMBL901964 0.91 KARS1 (0.67) KARS1CYP3A4ROCK1HTT
SCHEMBL1704537 0.90 KARS1 (1.00) KARS1
SCHEMBL1704420 0.88 KARS1 (0.77) KARS1
SCHEMBL1704400 0.88 KARS1 (0.63) KARS1CYP3A4ROCK1HTT
SCHEMBL1755606 0.86 KARS1 (0.75) KARS1
SCHEMBL902410 0.85 KARS1 (0.81) KARS1
SCHEMBL901956 0.84 KARS1 (0.83) KARS1
SCHEMBL1704695 0.84 KARS1 (0.79) KARS1
SCHEMBL901889 0.84 KARS1 (0.81) KARS1
SCHEMBL1755644 0.83 KARS1 (0.76) KARS1

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 3 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
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