SCHEMBL901953

SCHEMBL901953

O=C(O)N1CCC(c2cccc(-c3cccc(Nc4cc(C(F)(F)F)ccn4)n3)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 2/20 0.56
SYK P43405 9/20 0.51
MAP3K12 Q12852 9/20 0.49

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
SCHEMBL902839 0.88 SYK (0.60) KARS1SYKMAP3K12
SCHEMBL901929 0.86 KARS1 (0.55) KARS1SYKMAP3K12
SCHEMBL901891 0.84 KARS1 (0.73) KARS1SYK
SCHEMBL901665 0.83 KARS1 (0.53) KARS1MAP3K12
SCHEMBL901925 0.83 KARS1 (0.67) KARS1SYKMAP3K12
SCHEMBL1704409 0.82 KARS1 (0.73) KARS1SYK
SCHEMBL902090 0.80 KARS1 (0.55) KARS1SYK
SCHEMBL902923 0.78 NPC1 (0.36) KARS1SYKMAP3K12
SCHEMBL902272 0.77 SYK (0.53) KARS1SYKMAP3K12
SCHEMBL1581482 0.74 DRD2 (0.58)

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