SCHEMBL901895

SCHEMBL901895

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

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 13/20 0.52
P2RY12 Q9H244 2/20 0.35
ACHE P22303 1/20 0.35
ROCK2 O75116 2/20 0.33
ROCK1 Q13464 2/20 0.33
TBK1 Q9UHD2 1/20 0.33
WNT3A P56704 1/20 0.33

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
SCHEMBL1704636 0.96 KARS1 (0.52) KARS1P2RY12ACHETBK1WNT3A
SCHEMBL1705340 0.92 KARS1 (0.57) KARS1TBK1
SCHEMBL1704395 0.90 KARS1 (0.53) KARS1ACHETBK1WNT3A
SCHEMBL901882 0.90 KARS1 (0.48) KARS1ACHETBK1
SCHEMBL1704239 0.88 KARS1 (0.56) KARS1ACHETBK1WNT3A
SCHEMBL1704582 0.85 KARS1 (0.53) KARS1ACHETBK1WNT3A
SCHEMBL1704312 0.85 KARS1 (0.48) KARS1ACHETBK1
SCHEMBL901878 0.83 KARS1 (0.69) KARS1
SCHEMBL901431 0.83 KARS1 (0.60) KARS1
SCHEMBL1704481 0.83 KARS1 (0.55) KARS1ACHETBK1WNT3A

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