SCHEMBL901844

SCHEMBL901844

COCCOc1ccnc(Nc2cccc(-c3cccc(CCNC(=O)O)c3)n2)c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 8/20 0.52
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
HPGD P15428 1/20 0.39
KDM5B Q9UGL1 1/20 0.39
SLC5A1 P13866 1/20 0.38
HIF1A Q16665 1/20 0.37
TACR3 P29371 1/20 0.37
MAPT P10636 1/20 0.37
RIOK2 Q9BVS4 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL1704064 0.85 KARS1 (0.69) KARS1ROCK2ROCK1SLC5A1
SCHEMBL12469132 0.85 KARS1 (0.72) KARS1MAPTMEN1KMT2A
SCHEMBL1704269 0.84 KARS1 (0.47) KARS1ROCK2ROCK1SLC5A1RIOK2
SCHEMBL902605 0.81 KARS1 (0.56) KARS1
SCHEMBL901917 0.80 KARS1 (0.53) KARS1
SCHEMBL901872 0.79 KARS1 (0.52) KARS1HIF1AMEN1KMT2A
SCHEMBL901894 0.73 KARS1 (0.71) KARS1MAPTMEN1KMT2A
SCHEMBL902891 0.73 KARS1 (0.45) KARS1HPGDSLC5A1MAPT
SCHEMBL1705223 0.72 KARS1 (0.47) KARS1
SCHEMBL10268805 0.72 KARS1 (0.69) KARS1IRAK4

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