SCHEMBL902090

SCHEMBL902090

O=C(O)N1CC=C(c2cccc(-c3cccc(Nc4cc(C(F)(F)F)ccn4)n3)c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 2/20 0.55
SYK P43405 16/20 0.47
IDH2 P48735 1/20 0.44
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
SCHEMBL901312 0.87 KARS1 (0.54) KARS1SYKKMO
SCHEMBL1704842 0.84 KARS1 (0.52) KARS1
SCHEMBL901891 0.81 KARS1 (0.73) KARS1SYK
SCHEMBL901953 0.80 KARS1 (0.56) KARS1SYK
SCHEMBL1704409 0.79 KARS1 (0.73) KARS1SYK
SCHEMBL902737 0.78 KARS1 (0.63) KARS1SYKIDH2
SCHEMBL902774 0.78 ALDH1A1 (0.37) KARS1
SCHEMBL1704197 0.78 KARS1 (0.49) KARS1SYK
SCHEMBL2930491 0.77 CCR2 (0.51)
SCHEMBL3326632 0.75 TRPV1 (0.43) KMO

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