SCHEMBL901300

SCHEMBL901300

O=C(O)C1CNCCN1c1cc(-c2nc(Nc3cnccn3)cc3ccccc23)ccn1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 14/20 0.49
PRKCI P41743 1/20 0.36
SYK P43405 4/20 0.36
PRKD1 Q15139 1/20 0.35
PRKD2 Q9BZL6 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
SCHEMBL901688 0.87 KARS1 (0.48) KARS1PRKCI
SCHEMBL901708 0.82 KARS1 (0.66) KARS1PRKD1PRKD2
SCHEMBL901885 0.81 KARS1 (0.39) KARS1SYK
SCHEMBL1755675 0.80 WNT1 (0.41) KARS1
SCHEMBL901736 0.80 KARS1 (0.51) KARS1PRKD1
SCHEMBL1704237 0.80 WNT1 (0.41) KARS1
SCHEMBL901702 0.79 KARS1 (0.51) KARS1
SCHEMBL901409 0.79 KARS1 (0.41) KARS1
SCHEMBL901245 0.77 KARS1 (0.52) KARS1PRKD1
SCHEMBL1755670 0.77 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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