SCHEMBL901724

SCHEMBL901724

O=C(O)NCCNc1cc(-c2cccc(Nc3cc(C(F)(F)F)ccn3)n2)ccn1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 6/20 0.57
SYK P43405 11/20 0.48
IDH2 P48735 1/20 0.43
KMO O15229 1/20 0.43

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
SCHEMBL1704345 0.90 KARS1 (0.59) KARS1SYK
SCHEMBL901307 0.86 KARS1 (0.77) KARS1SYK
SCHEMBL901917 0.85 KARS1 (0.53) KARS1SYKIDH2KMO
SCHEMBL10268803 0.85 KARS1 (0.71) KARS1SYKIDH2
SCHEMBL1704255 0.84 KARS1 (0.52) KARS1SYKIDH2
SCHEMBL901754 0.83 KARS1 (0.58) KARS1
SCHEMBL12469502 0.80 KARS1 (0.74) KARS1SYK
SCHEMBL901741 0.78 KARS1 (0.74) KARS1SYK
SCHEMBL901406 0.78 KARS1 (0.50) KARS1
SCHEMBL901986 0.77 SYK (0.50) KARS1SYKIDH2

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
WO-2012041476-A1 PYRIDINE AND ISOQUINOLINE DERIVATIVES AS SYK- AND JAK-KINASE INHIBITORS ALMIRALL, S.A. (ES) 2012-04-05 WO disclosed