SCHEMBL901917

SCHEMBL901917

O=C(O)NCCc1cccc(-c2cccc(Nc3cc(C(F)(F)F)ccn3)n2)c1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 8/20 0.53
GPR52 Q9Y2T5 1/20 0.45
CDK8 P49336 1/20 0.45
IDH2 P48735 1/20 0.45
SYK P43405 7/20 0.45
KMO O15229 1/20 0.44
NR3C2 P08235 1/20 0.44

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
SCHEMBL902605 0.90 KARS1 (0.56) KARS1SYK
SCHEMBL901986 0.90 SYK (0.50) KARS1IDH2SYK
SCHEMBL12469132 0.86 KARS1 (0.72) KARS1SYKKMONR3C2
SCHEMBL901724 0.85 KARS1 (0.57) KARS1IDH2SYKKMO
SCHEMBL902073 0.84 KARS1 (0.71) KARS1IDH2SYKNR3C2
SCHEMBL902028 0.84 CA12 (0.45) GPR52CDK8IDH2SYKNR3C2
SCHEMBL901883 0.83 AURKA (0.56) KARS1IDH2SYKKMONR3C2
SCHEMBL901864 0.83 KARS1 (0.49) KARS1IDH2SYKKMONR3C2
SCHEMBL901872 0.82 KARS1 (0.52) KARS1
SCHEMBL901844 0.80 KARS1 (0.52) 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