SCHEMBL901883

SCHEMBL901883

NC(=O)Cc1cccc(-c2cccc(Nc3cc(C(F)(F)F)ccn3)n2)c1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AURKA O14965 3/20 0.56
KARS1 Q15046 6/20 0.55
SYK P43405 7/20 0.47
RIOK2 Q9BVS4 1/20 0.47
NR3C2 P08235 1/20 0.46
IDH2 P48735 1/20 0.45
KMO O15229 1/20 0.44

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
SCHEMBL902073 0.84 KARS1 (0.71) AURKAKARS1SYKNR3C2IDH2
SCHEMBL901917 0.83 KARS1 (0.53) KARS1SYKNR3C2IDH2KMO
SCHEMBL901722 0.81 KARS1 (0.52) AURKAKARS1
SCHEMBL901864 0.80 KARS1 (0.49) KARS1SYKNR3C2IDH2KMO
SCHEMBL902909 0.77 KARS1 (0.63) AURKAKARS1SYKIDH2
SCHEMBL901724 0.76 KARS1 (0.57) KARS1SYKIDH2KMO
SCHEMBL10268803 0.76 KARS1 (0.71) KARS1SYKIDH2
SCHEMBL902700 0.76 KARS1 (0.54) KARS1SYKNR3C2
SCHEMBL27160775 0.75 NR3C2 (0.53) AURKANR3C2KMO
SCHEMBL901891 0.74 KARS1 (0.73) KARS1SYK

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