SCHEMBL1705089

SCHEMBL1705089

COC(=O)CCCNc1cc(Nc2cnccn2)nc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 13/20 0.52
SYK P43405 2/20 0.43
GPR119 Q8TDV5 1/20 0.42
TBK1 Q9UHD2 2/20 0.41
WNT3A P56704 1/20 0.40
ACHE P22303 1/20 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
SCHEMBL902630 0.94 KARS1 (0.52) KARS1SYKGPR119TBK1WNT3A
SCHEMBL1705090 0.92 KARS1 (0.54) KARS1SYKGPR119TBK1WNT3A
SCHEMBL901439 0.90 KARS1 (0.55) KARS1SYK
SCHEMBL901759 0.89 KARS1 (0.54) KARS1SYKGPR119TBK1ACHE
SCHEMBL902995 0.87 KARS1 (0.67) KARS1SYKGPR119TBK1WNT3A
SCHEMBL1705215 0.86 KARS1 (0.62) KARS1SYKGPR119TBK1WNT3A
SCHEMBL1704514 0.85 KARS1 (0.54) KARS1SYKGPR119TBK1WNT3A
SCHEMBL901989 0.85 KARS1 (0.56) KARS1SYKGPR119TBK1WNT3A
SCHEMBL1704423 0.84 KARS1 (0.49) KARS1SYKGPR119TBK1WNT3A
SCHEMBL1704732 0.84 KARS1 (0.52) KARS1SYKGPR119TBK1

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