SCHEMBL901736

SCHEMBL901736

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

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 16/20 0.51
PIM1 P11309 2/20 0.44
MAP4K1 Q92918 1/20 0.41
PRKD1 Q15139 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
SCHEMBL901708 0.85 KARS1 (0.66) KARS1PRKD1
SCHEMBL901890 0.82 KARS1 (0.45) KARS1
SCHEMBL902032 0.81 KARS1 (0.52) KARS1PIM1PRKD1
SCHEMBL901688 0.80 KARS1 (0.48) KARS1
SCHEMBL901300 0.80 KARS1 (0.49) KARS1PRKD1
SCHEMBL902855 0.78 KARS1 (0.40) KARS1
SCHEMBL901702 0.77 KARS1 (0.51) KARS1
SCHEMBL901245 0.76 KARS1 (0.52) KARS1PIM1PRKD1
SCHEMBL901846 0.76 KARS1 (0.46) KARS1
SCHEMBL902716 0.76 KARS1 (0.46) KARS1PRKD1

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