SCHEMBL1704534

SCHEMBL1704534

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

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 14/20 0.52
KDM4E B2RXH2 1/20 0.46
THRB P10828 2/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
MAPT P10636 1/20 0.42
MTOR P42345 1/20 0.42
SMG1 Q96Q15 1/20 0.42
SYK P43405 1/20 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
SCHEMBL1704596 0.91 KARS1 (0.48) KARS1KDM4ESYK
SCHEMBL901995 0.90 KARS1 (0.60) KARS1THRBLMNAMTORSMG1
SCHEMBL902811 0.90 KARS1 (0.51) KARS1
SCHEMBL1704426 0.89 KARS1 (0.63) KARS1KDM4ETHRBLMNATSHR
SCHEMBL902092 0.87 KARS1 (0.68) KARS1TSHR
SCHEMBL1704302 0.82 KARS1 (0.55) KARS1SYK
SCHEMBL1704350 0.81 KARS1 (0.47) KARS1MTORSMG1SYK
SCHEMBL1704272 0.80 KARS1 (0.74) KARS1
SCHEMBL1704342 0.80 KARS1 (0.71) KARS1
SCHEMBL901757 0.79 KARS1 (0.66) 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