SCHEMBL5331801

SCHEMBL5331801

CNc1ccc2nc(N(c3ccc(CN4CCC(N(C)C)C4)cn3)c3ccc(F)cc3F)sc2n1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.38
MELK Q14680 2/20 0.38
GRM2 Q14416 1/20 0.37
SCN8A Q9UQD0 13/20 0.36
SCN1A P35498 12/20 0.36
GRIN2B Q13224 1/20 0.33

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
SCHEMBL14531378 0.81 MELK (0.39) MAP4K4MELKGRM2SCN8ASCN1A
SCHEMBL5336063 0.75 GRM2 (0.37) MAP4K4MELKGRM2SCN8ASCN1A
SCHEMBL5315529 0.70 DYRK2 (0.40)
SCHEMBL5316079 0.68 CDK4 (0.40)
SCHEMBL14531377 0.67 DYRK2 (0.40)
SCHEMBL5313455 0.67 DYRK2 (0.47)
SCHEMBL5312799 0.67 KDR (0.41)
SCHEMBL5314116 0.67 DYRK2 (0.39)
SCHEMBL2883883 0.65 HRH3 (0.52) MAP4K4MELKGRM2
SCHEMBL5312932 0.65 KDR (0.42) MAP4K4

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
WO-2007058482-A1 NOVEL INHIBITORS OF PROTEIN KINASE LG LIFE SCIENCES, LTD. (KR) 2007-05-24 WO disclosed