SCHEMBL902073

SCHEMBL902073

NCCc1cccc(-c2cccc(Nc3cc(C(F)(F)F)ccn3)n2)c1

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 10/20 0.71
TAAR1 Q96RJ0 1/20 0.48
IDH2 P48735 1/20 0.47
SYK P43405 4/20 0.47
NR3C2 P08235 1/20 0.43
MAOB P27338 1/20 0.43
AURKA O14965 1/20 0.41

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
SCHEMBL902820 0.89 KARS1 (0.74) KARS1IDH2SYK
SCHEMBL1704561 0.88 KARS1 (0.55) KARS1TAAR1IDH2SYK
SCHEMBL901883 0.84 AURKA (0.56) KARS1IDH2SYKNR3C2AURKA
SCHEMBL901917 0.84 KARS1 (0.53) KARS1IDH2SYKNR3C2
SCHEMBL902772 0.83 KARS1 (1.00) KARS1TAAR1SYK
SCHEMBL10268803 0.83 KARS1 (0.71) KARS1IDH2SYK
SCHEMBL1704065 0.82 KARS1 (0.48) KARS1TAAR1IDH2SYKNR3C2
SCHEMBL901864 0.80 KARS1 (0.49) KARS1IDH2SYKNR3C2
SCHEMBL902681 0.80 KARS1 (0.70) KARS1
SCHEMBL902909 0.79 KARS1 (0.63) KARS1IDH2SYKAURKA

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
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