SCHEMBL901796

SCHEMBL901796

Cc1ccnc(Nc2cc(N)cc(-c3ccnc(N4C[C@@H]5C[C@H]4CN5C(=O)O)c3)n2)c1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 6/20 0.45
SYK P43405 10/20 0.44
MAP3K12 Q12852 4/20 0.39

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
SCHEMBL12469310 0.88 KARS1 (0.56) KARS1SYKMAP3K12
SCHEMBL1704085 0.88 SYK (0.49) KARS1SYK
SCHEMBL1705079 0.87 SYK (0.41) KARS1SYKMAP3K12
SCHEMBL1704435 0.82 KARS1 (0.49) KARS1SYKMAP3K12
SCHEMBL1704543 0.79 SYK (0.49) SYK
SCHEMBL902168 0.79 SYK (0.49) SYK
SCHEMBL902051 0.79 KARS1 (0.55) KARS1SYKMAP3K12
SCHEMBL1704569 0.75 SYK (0.46) KARS1SYKMAP3K12
SCHEMBL1704571 0.75 SYK (0.46) KARS1SYKMAP3K12
SCHEMBL1704871 0.73 KARS1 (0.44) KARS1SYK

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