SCHEMBL4707007

SCHEMBL4707007

Cc1nnc(-c2nnn(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2-c2ccccc2)n1Cc1ccccc1Br

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 6/20 0.37
GSK3B P49841 6/20 0.37
MAP4K4 O95819 5/20 0.37
PRKACA P17612 5/20 0.37
CDK2 P24941 5/20 0.37
CLK2 P49760 4/20 0.37
ROCK2 O75116 4/20 0.37
PIM1 P11309 3/20 0.37
HIPK2 Q9H2X6 3/20 0.37
DAPK3 O43293 3/20 0.37
PRKD3 O94806 3/20 0.37
FLT3 P36888 3/20 0.37
PRKX P51817 3/20 0.37
JAK3 P52333 3/20 0.37
CDK5 Q00535 3/20 0.37
MAP4K2 Q12851 3/20 0.37
CAMK2D Q13557 3/20 0.37
DYRK1A Q13627 3/20 0.37
PKN2 Q16513 3/20 0.37
STK17A Q9UEE5 3/20 0.37

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
SCHEMBL4706961 0.91 IDO1 (0.40) CDC7GSK3BMAP4K4PRKACACDK2
SCHEMBL4705173 0.90 NR1H2 (0.39) CDC7GSK3BMAP4K4PRKACACDK2
SCHEMBL4707214 0.89 CDC7 (0.39) CDC7GSK3BMAP4K4PRKACACDK2
SCHEMBL4709645 0.86 CDC7 (0.38) CDC7GSK3BMAP4K4PRKACACDK2
SCHEMBL4709715 0.84 CDC7 (0.43) CDC7GSK3BMAP4K4PRKACACDK2
SCHEMBL4707454 0.83 CDC7 (0.38) CDC7GSK3BMAP4K4PRKACACDK2
SCHEMBL4707786 0.81 AVPR1A (0.43) CDC7GSK3BMAP4K4PRKACACDK2
SCHEMBL4705832 0.80 GRM2 (0.38) CDC7GSK3BMAP4K4PRKACACDK2
SCHEMBL4707028 0.79 CDC7 (0.39) CDC7GSK3BMAP4K4PRKACACDK2
SCHEMBL4707898 0.79 SLC16A3 (0.36) CDC7GSK3BMAP4K4PRKACACDK2

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-1501809-B1 TRIAZOLE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-01-16 EP disclosed