SCHEMBL901824

SCHEMBL901824

Cc1ccnc(Nc2cccc(-c3ccnc(N4CCNCC4)c3)n2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 18/20 1.00
DPP4 P27487 1/20 0.53
PRKD1 Q15139 1/20 0.49
PRKD2 Q9BZL6 1/20 0.49

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
SCHEMBL902162 0.96 KARS1 (1.00) KARS1DPP4
SCHEMBL1704417 0.86 KARS1 (0.76) KARS1
SCHEMBL10268986 0.85 KARS1 (0.75) KARS1DPP4PRKD1PRKD2
SCHEMBL1705137 0.85 KARS1 (1.00) KARS1DPP4
SCHEMBL902600 0.85 KARS1 (1.00) KARS1
SCHEMBL901740 0.85 KARS1 (1.00) KARS1PRKD1PRKD2
SCHEMBL1704227 0.84 KARS1 (0.73) KARS1PRKD1PRKD2
SCHEMBL1704662 0.84 KARS1 (0.72) KARS1
SCHEMBL1704952 0.82 KARS1 (1.00) KARS1DPP4
SCHEMBL901944 0.81 KARS1 (0.75) 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
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
WO-2012041476-A1 PYRIDINE AND ISOQUINOLINE DERIVATIVES AS SYK- AND JAK-KINASE INHIBITORS ALMIRALL, S.A. (ES) 2012-04-05 WO disclosed