SCHEMBL902272

SCHEMBL902272

Cc1ccnc(Nc2cccc(-c3cccc(C4CCN(C(=O)OC(C)(C)C)CC4)c3)n2)c1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.53
KARS1 Q15046 12/20 0.50
WNT3A P56704 1/20 0.45
MAP3K12 Q12852 4/20 0.44
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
NOS2 P35228 1/20 0.43

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
SCHEMBL902839 0.89 SYK (0.60) SYKKARS1MAP3K12
SCHEMBL1705310 0.88 KARS1 (0.48) SYKKARS1WNT3A
SCHEMBL901929 0.88 KARS1 (0.55) SYKKARS1MAP3K12
SCHEMBL1705277 0.85 JAK2 (0.44) SYKWNT3A
SCHEMBL13136098 0.84 SYK (0.51) SYKKARS1MAP3K12
SCHEMBL901697 0.83 KARS1 (0.65) SYKKARS1
SCHEMBL1704197 0.81 KARS1 (0.49) SYKKARS1WNT3A
SCHEMBL901674 0.80 KARS1 (0.62) SYKKARS1
SCHEMBL901734 0.79 HTT (0.46)
SCHEMBL1704379 0.78 KARS1 (0.62) KARS1MAP3K12

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