SCHEMBL901301

SCHEMBL901301

C[C@@H]1CN(c2cc(-c3nc(Nc4cnccn4)cc4ccccc34)ccn2)C[C@H](C)N1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 14/20 0.46
PRKD1 Q15139 1/20 0.40
NMT1 P30419 1/20 0.38
CDK4 P11802 2/20 0.37
PDE10A Q9Y233 1/20 0.36
CDK6 Q00534 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
SCHEMBL902716 1.00 KARS1 (0.46) KARS1PRKD1NMT1CDK4PDE10A
SCHEMBL901846 0.88 KARS1 (0.46) KARS1PDE10AADORA2A
SCHEMBL1755670 0.84 KARS1 (0.40) KARS1
SCHEMBL901236 0.84 KARS1 (0.40) KARS1
SCHEMBL901708 0.84 KARS1 (0.66) KARS1PRKD1
SCHEMBL901860 0.83 KARS1 (0.46) KARS1PRKD1
SCHEMBL901245 0.82 KARS1 (0.52) KARS1PRKD1
SCHEMBL901688 0.80 KARS1 (0.48) KARS1
SCHEMBL902032 0.80 KARS1 (0.52) KARS1PRKD1CDK4CDK6
SCHEMBL1704237 0.79 WNT1 (0.41) 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 3 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
WO-2012041476-A1 PYRIDINE AND ISOQUINOLINE DERIVATIVES AS SYK- AND JAK-KINASE INHIBITORS ALMIRALL, S.A. (ES) 2012-04-05 WO disclosed