SCHEMBL1704596

SCHEMBL1704596

CC(C)(C)OC(=O)N1CCN(c2cc(-c3cc(NS(=O)(=O)c4cccc(C(F)(F)F)c4)cc(Nc4cnccn4)n3)ccn2)CC1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 14/20 0.48
SYK P43405 4/20 0.47
TGFBR1 P36897 1/20 0.43
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL1704302 0.91 KARS1 (0.55) KARS1SYKTGFBR1
SCHEMBL1704350 0.91 KARS1 (0.47) KARS1SYKTGFBR1
SCHEMBL1704534 0.91 KARS1 (0.52) KARS1SYKKDM4E
SCHEMBL1704625 0.88 KARS1 (0.61) KARS1SYK
SCHEMBL1704426 0.86 KARS1 (0.63) KARS1KDM4E
SCHEMBL902995 0.83 KARS1 (0.67) KARS1SYK
SCHEMBL1705215 0.82 KARS1 (0.62) KARS1SYK
SCHEMBL902811 0.82 KARS1 (0.51) KARS1
SCHEMBL901995 0.81 KARS1 (0.60) KARS1
SCHEMBL1704340 0.81 KARS1 (0.64) KARS1

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