SCHEMBL902909

SCHEMBL902909

FC(F)(F)c1ccnc(Nc2cccc(-c3ccncc3)n2)c1

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 9/20 0.63
SYK P43405 6/20 0.54
IDH2 P48735 1/20 0.54
ABL1 P00519 1/20 0.49
BCR P11274 1/20 0.49
AURKA O14965 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
SCHEMBL10268803 0.81 KARS1 (0.71) KARS1SYKIDH2
SCHEMBL902672 0.80 KARS1 (0.74) KARS1SYKABL1
SCHEMBL17147632 0.79 SYK (0.50) KARS1SYKIDH2AURKA
SCHEMBL902073 0.79 KARS1 (0.71) KARS1SYKIDH2AURKA
SCHEMBL901740 0.78 KARS1 (1.00) KARS1SYK
SCHEMBL1704454 0.78 KARS1 (0.50) KARS1SYKIDH2AURKA
SCHEMBL904195 0.78 SYK (0.52) KARS1SYKIDH2AURKA
SCHEMBL901724 0.77 KARS1 (0.57) KARS1SYKIDH2
SCHEMBL901883 0.77 AURKA (0.56) KARS1SYKIDH2AURKA
SCHEMBL901727 0.76 KARS1 (1.00) 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
WO-2012041476-A1 PYRIDINE AND ISOQUINOLINE DERIVATIVES AS SYK- AND JAK-KINASE INHIBITORS ALMIRALL, S.A. (ES) 2012-04-05 WO disclosed