SCHEMBL901864

SCHEMBL901864

CC(C)(C)N(CCc1cccc(-c2cccc(Nc3cc(C(F)(F)F)ccn3)n2)c1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 7/20 0.49
IDH2 P48735 1/20 0.44
SYK P43405 10/20 0.43
KMO O15229 1/20 0.41
NR3C2 P08235 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
SCHEMBL1704492 0.93 KARS1 (0.51) KARS1IDH2SYK
SCHEMBL901924 0.91 IDH2 (0.48) IDH2SYK
SCHEMBL902758 0.88 KARS1 (0.64) KARS1SYKKMO
SCHEMBL1704255 0.87 KARS1 (0.52) KARS1IDH2SYK
SCHEMBL1704715 0.85 IDH2 (0.40) IDH2SYKNR3C2
SCHEMBL1705304 0.85 KARS1 (0.47) KARS1SYK
SCHEMBL1704269 0.83 KARS1 (0.47) KARS1
SCHEMBL901917 0.83 KARS1 (0.53) KARS1IDH2SYKKMONR3C2
SCHEMBL902073 0.80 KARS1 (0.71) KARS1IDH2SYKNR3C2
SCHEMBL901883 0.80 AURKA (0.56) KARS1IDH2SYKKMONR3C2

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 1 patent. 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 disclosed