SCHEMBL901925

SCHEMBL901925

FC(F)(F)c1ccnc(Nc2cccc(-c3cccc(C4CCNCC4)c3)n2)c1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 2/20 0.67
MAP3K12 Q12852 10/20 0.54
HTR2C P28335 2/20 0.52
DLK1 P80370 1/20 0.51
SYK P43405 3/20 0.50
MAPK1 P28482 1/20 0.50
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 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
SCHEMBL1704379 0.85 KARS1 (0.62) KARS1MAP3K12HTR2C
SCHEMBL902828 0.84 KARS1 (0.48) KARS1MAP3K12HTR2C
SCHEMBL901953 0.83 KARS1 (0.56) KARS1MAP3K12SYK
SCHEMBL902750 0.81 KARS1 (0.64) KARS1HTR2C
SCHEMBL901727 0.80 KARS1 (1.00) KARS1MAP3K12HTR2CSYK
SCHEMBL902839 0.79 SYK (0.60) KARS1MAP3K12SYK
SCHEMBL901740 0.78 KARS1 (1.00) KARS1MAP3K12SYK
SCHEMBL902737 0.77 KARS1 (0.63) KARS1MAP3K12HTR2CSYK
SCHEMBL1704501 0.76 HTR2C (0.45) KARS1HTR2C
SCHEMBL902909 0.76 KARS1 (0.63) 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 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