SCHEMBL4705191

SCHEMBL4705191

Cc1nnc(-c2nnn(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2-c2ccccc2)n1-c1ccc(Cl)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CDC7 O00311 4/20 0.39
MAP4K4 O95819 3/20 0.39
PIM1 P11309 3/20 0.39
PRKACA P17612 3/20 0.39
CDK2 P24941 3/20 0.39
GSK3B P49841 3/20 0.39
HIPK2 Q9H2X6 3/20 0.39
DAPK3 O43293 2/20 0.39
ROCK2 O75116 2/20 0.39
PRKD3 O94806 2/20 0.39
FLT3 P36888 2/20 0.39
CLK2 P49760 2/20 0.39
PRKX P51817 2/20 0.39
JAK3 P52333 2/20 0.39
CDK5 Q00535 2/20 0.39
MAP4K2 Q12851 2/20 0.39
CAMK2D Q13557 2/20 0.39
DYRK1A Q13627 2/20 0.39

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
SCHEMBL4706112 0.93 CDC7 (0.39) HTTL3MBTL1CDC7MAP4K4PIM1
SCHEMBL4706990 0.92 CDC7 (0.44) CDC7MAP4K4PIM1PRKACACDK2
SCHEMBL4707548 0.92 CDC7 (0.40) HTTL3MBTL1CDC7MAP4K4PIM1
SCHEMBL4707786 0.85 AVPR1A (0.43) CDC7MAP4K4PIM1PRKACACDK2
SCHEMBL4708709 0.84 CDC7 (0.39) HTTL3MBTL1CDC7MAP4K4PIM1
SCHEMBL4707028 0.82 CDC7 (0.39) CDC7MAP4K4PIM1PRKACACDK2
SCHEMBL4707214 0.81 CDC7 (0.39) HTTL3MBTL1CDC7MAP4K4PIM1
SCHEMBL4709645 0.79 CDC7 (0.38) HTTL3MBTL1CDC7MAP4K4PIM1
SCHEMBL4709715 0.78 CDC7 (0.43) HTTCDC7MAP4K4PIM1PRKACA
SCHEMBL4707828 0.77 CDC7 (0.42) CDC7MAP4K4PIM1PRKACACDK2

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