SCHEMBL1704409

SCHEMBL1704409

O=C(O)N1CCN(c2cc(-c3cccc(Nc4cc(C(F)(F)F)ccn4)n3)ccn2)CC1

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 7/20 0.73
SYK P43405 12/20 0.49
MTOR P42345 1/20 0.48
SMG1 Q96Q15 1/20 0.48

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
SCHEMBL901891 0.89 KARS1 (0.73) KARS1SYK
SCHEMBL1704909 0.88 KARS1 (0.67) KARS1SYKMTORSMG1
SCHEMBL901783 0.87 KARS1 (0.56) KARS1SYK
SCHEMBL1704662 0.86 KARS1 (0.72) KARS1SYKSMG1
SCHEMBL901740 0.85 KARS1 (1.00) KARS1SYKMTORSMG1
SCHEMBL901900 0.84 KARS1 (0.53) KARS1SYK
SCHEMBL902071 0.84 KARS1 (0.72) KARS1
SCHEMBL901785 0.83 KARS1 (0.53) KARS1MTORSMG1
SCHEMBL1704434 0.83 KARS1 (0.68) KARS1SYKSMG1
SCHEMBL901953 0.82 KARS1 (0.56) 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 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