SCHEMBL1704098

SCHEMBL1704098

Cc1ccnc(Nc2cccc(-c3cccc(N4CCC(N(C(=O)O)C(C)(C)C)CC4)c3)n2)c1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 14/20 0.54
CARM1 Q86X55 1/20 0.43
PRMT6 Q96LA8 1/20 0.43
PRMT8 Q9NR22 1/20 0.43
MAP3K12 Q12852 1/20 0.42
PHGDH O43175 1/20 0.42
SYK P43405 3/20 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
SCHEMBL901693 0.90 KARS1 (0.68) KARS1MAP3K12SYK
SCHEMBL902955 0.87 KARS1 (0.66) KARS1MAP3K12SYK
SCHEMBL901892 0.84 KARS1 (0.58) KARS1CARM1PRMT6PRMT8MAP3K12
SCHEMBL902780 0.81 KARS1 (0.78) KARS1CARM1PRMT6PRMT8PHGDH
SCHEMBL902758 0.74 KARS1 (0.64) KARS1SYK
SCHEMBL901944 0.74 KARS1 (0.75) KARS1MAP3K12SYK
SCHEMBL901929 0.73 KARS1 (0.55) KARS1MAP3K12SYK
SCHEMBL1705214 0.72 KARS1 (0.73) KARS1MAP3K12SYK
SCHEMBL901891 0.72 KARS1 (0.73) KARS1PHGDHSYK
SCHEMBL902272 0.71 SYK (0.53) 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
EP-2441755-A1 Pyridine- and isoquinoline-derivatives as Syk and JAK kinase inhibitors Almirall, S.A. (ES) 2012-04-18 EP disclosed