SCHEMBL901740

SCHEMBL901740

FC(F)(F)c1ccnc(Nc2cccc(-c3ccnc(N4CCNCC4)c3)n2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 13/20 1.00
ADRB1 P08588 1/20 0.59
PRKD1 Q15139 2/20 0.52
PRKD2 Q9BZL6 2/20 0.52
MTOR P42345 1/20 0.51
SMG1 Q96Q15 1/20 0.51
SYK P43405 2/20 0.48
MAP3K12 Q12852 1/20 0.46

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
SCHEMBL901727 0.88 KARS1 (1.00) KARS1ADRB1SYKMAP3K12
SCHEMBL1704409 0.85 KARS1 (0.73) KARS1MTORSMG1SYK
SCHEMBL901824 0.85 KARS1 (1.00) KARS1PRKD1PRKD2
SCHEMBL902600 0.82 KARS1 (1.00) KARS1
SCHEMBL1704227 0.82 KARS1 (0.73) KARS1PRKD1PRKD2
SCHEMBL902162 0.81 KARS1 (1.00) KARS1MAP3K12
SCHEMBL1704909 0.80 KARS1 (0.67) KARS1MTORSMG1SYK
SCHEMBL1704417 0.80 KARS1 (0.76) KARS1
SCHEMBL902909 0.78 KARS1 (0.63) KARS1SYK
SCHEMBL901925 0.78 KARS1 (0.67) KARS1SYKMAP3K12

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 4 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 claimed
EP-2441755-A1 Pyridine- and isoquinoline-derivatives as Syk and JAK kinase inhibitors Almirall, S.A. (ES) 2012-04-18 EP disclosed
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