SCHEMBL901846

SCHEMBL901846

OC1CN(c2cc(-c3nc(Nc4cnccn4)cc4ccccc34)ccn2)C1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 14/20 0.46
PDE10A Q9Y233 4/20 0.37
CHEK1 O14757 1/20 0.35
CHEK2 O96017 1/20 0.35
ADORA2A P29274 1/20 0.35

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
SCHEMBL901860 0.93 KARS1 (0.46) KARS1CHEK1CHEK2
SCHEMBL901245 0.90 KARS1 (0.52) KARS1CHEK1CHEK2
SCHEMBL901301 0.88 KARS1 (0.46) KARS1PDE10AADORA2A
SCHEMBL902716 0.88 KARS1 (0.46) KARS1PDE10AADORA2A
SCHEMBL901708 0.84 KARS1 (0.66) KARS1
SCHEMBL901702 0.83 KARS1 (0.51) KARS1
SCHEMBL902032 0.81 KARS1 (0.52) KARS1
SCHEMBL1755675 0.80 WNT1 (0.41) KARS1
SCHEMBL1704237 0.80 WNT1 (0.41) KARS1
SCHEMBL1755670 0.79 KARS1 (0.40) KARS1

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 5 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
WO-2012041476-A1 PYRIDINE AND ISOQUINOLINE DERIVATIVES AS SYK- AND JAK-KINASE INHIBITORS ALMIRALL, S.A. (ES) 2012-04-05 WO 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