SCHEMBL902768

SCHEMBL902768

O=C(O)c1ccc(C(=O)Nc2cc(Nc3cc(C(F)(F)F)ccn3)nc(-c3ccnc(N4C[C@@H]5C[C@H]4CN5)c3)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 6/20 0.52
BRAF P15056 1/20 0.47
SYK P43405 10/20 0.44
IDH2 P48735 1/20 0.44
WNT1 P04628 1/20 0.43
CLK2 P49760 1/20 0.43
CLK3 P49761 1/20 0.43
GSK3B P49841 1/20 0.43
DYRK1A Q13627 1/20 0.43
MCHR1 Q99705 1/20 0.41

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
SCHEMBL1704236 1.00 KARS1 (0.52) KARS1BRAFSYKIDH2WNT1
SCHEMBL1704640 0.91 KARS1 (0.56) KARS1BRAFSYKIDH2WNT1
SCHEMBL901888 0.88 KARS1 (0.68) KARS1BRAFWNT1CLK2CLK3
SCHEMBL1705099 0.83 KARS1 (0.47) KARS1SYKIDH2
SCHEMBL902491 0.82 KARS1 (0.76) KARS1SYKIDH2
SCHEMBL1704871 0.81 KARS1 (0.44) KARS1SYKIDH2
SCHEMBL1704276 0.80 KARS1 (0.68) KARS1BRAFWNT1CLK2CLK3
SCHEMBL901867 0.79 KARS1 (0.53) KARS1BRAFSYKIDH2
SCHEMBL901719 0.77 SYK (0.41) KARS1BRAFSYK
SCHEMBL902653 0.73 KARS1 (0.80) KARS1BRAFSYK

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 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