SCHEMBL12469310

SCHEMBL12469310

Nc1cc(Nc2cnccn2)nc(-c2ccnc(N3C[C@@H]4C[C@H]3CN4C(=O)O)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 13/20 0.56
MAP3K12 Q12852 3/20 0.39
MAP3K13 O43283 1/20 0.36
SYK P43405 3/20 0.35
TYK2 P29597 1/20 0.35

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
SCHEMBL901796 0.88 KARS1 (0.45) KARS1MAP3K12SYK
SCHEMBL1704085 0.86 SYK (0.49) KARS1SYK
SCHEMBL901253 0.84 KARS1 (0.65) KARS1TYK2
SCHEMBL902062 0.82 KARS1 (0.57) KARS1TYK2
SCHEMBL901409 0.82 KARS1 (0.41) KARS1MAP3K12MAP3K13TYK2
SCHEMBL901738 0.81 KARS1 (0.58) KARS1SYK
SCHEMBL901752 0.79 KARS1 (0.73) KARS1
SCHEMBL902168 0.76 SYK (0.49) SYK
SCHEMBL1704543 0.76 SYK (0.49) SYK
SCHEMBL1705079 0.76 SYK (0.41) KARS1MAP3K12SYK

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012041476-A1 PYRIDINE AND ISOQUINOLINE DERIVATIVES AS SYK- AND JAK-KINASE INHIBITORS ALMIRALL, S.A. (ES) 2012-04-05 WO disclosed