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SCHEMBL902144

SCHEMBL902144

COC(=O)[C@H](CC(=O)Nc1cc(Nc2cnccn2)nc(-c2ccnc(N3CCN(C(=O)O)CC3)c2)c1)Cc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KARS1 Q15046 13/20 0.59
▸ SMG1 Q96Q15 2/20 0.34
▸ MTOR P42345 1/20 0.34
▸ MAPK10 P53779 1/20 0.34
▸ DYRK1A Q13627 1/20 0.34
▸ FAAH O00519 1/20 0.34
▸ SYK P43405 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
SCHEMBL1704353 0.92 KARS1 (0.55) KARS1SYK
SCHEMBL1704577 0.87 KARS1 (0.56) KARS1SYK
SCHEMBL901431 0.86 KARS1 (0.60) KARS1SMG1DYRK1AFAAH
SCHEMBL1704395 0.86 KARS1 (0.53) KARS1FAAHSYK
SCHEMBL901935 0.85 KARS1 (0.65) KARS1FAAH
SCHEMBL1704220 0.85 KARS1 (0.74) KARS1
SCHEMBL901964 0.84 KARS1 (0.67) KARS1SYK
SCHEMBL901335 0.84 KARS1 (0.44) KARS1
SCHEMBL902078 0.84 KARS1 (0.52) KARS1MAPK10FAAH
SCHEMBL901834 0.84 KARS1 (0.82) KARS1DYRK1ASYK

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