SCHEMBL902811

SCHEMBL902811

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

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 13/20 0.51
GSK3B P49841 2/20 0.41
PKLR P30613 1/20 0.39
EGFR P00533 2/20 0.38
BTK Q06187 1/20 0.38
NAMPT P43490 1/20 0.38
SLC40A1 Q9NP59 1/20 0.38

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
SCHEMBL1704350 0.92 KARS1 (0.47) KARS1GSK3B
SCHEMBL1704623 0.90 KARS1 (0.60) KARS1GSK3B
SCHEMBL1704534 0.90 KARS1 (0.52) KARS1
SCHEMBL901995 0.89 KARS1 (0.60) KARS1
SCHEMBL1704596 0.82 KARS1 (0.48) KARS1
SCHEMBL1704302 0.82 KARS1 (0.55) KARS1
SCHEMBL1704426 0.79 KARS1 (0.63) KARS1
SCHEMBL1704272 0.78 KARS1 (0.74) KARS1
SCHEMBL902092 0.78 KARS1 (0.68) KARS1
SCHEMBL1704342 0.78 KARS1 (0.71) 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 2 patents. 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
WO-2012041476-A1 PYRIDINE AND ISOQUINOLINE DERIVATIVES AS SYK- AND JAK-KINASE INHIBITORS ALMIRALL, S.A. (ES) 2012-04-05 WO disclosed