SCHEMBL4707828

SCHEMBL4707828

Cc1nnc(-c2nnn(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2-c2ccccc2)n1[C@@H](C)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 10/20 0.42
MAP4K4 O95819 8/20 0.42
PRKACA P17612 8/20 0.42
GSK3B P49841 8/20 0.42
CDK2 P24941 7/20 0.42
ROCK2 O75116 5/20 0.42
DAPK3 O43293 5/20 0.42
PRKD3 O94806 5/20 0.42
CLK2 P49760 5/20 0.42
PRKX P51817 5/20 0.42
JAK3 P52333 5/20 0.42
CDK5 Q00535 5/20 0.42
MAP4K2 Q12851 5/20 0.42
DYRK1A Q13627 5/20 0.42
CAMK2D Q13557 4/20 0.42
PKN2 Q16513 4/20 0.42
STK17A Q9UEE5 4/20 0.42
MAP4K5 Q9Y4K4 4/20 0.42
PIM1 P11309 4/20 0.42
HIPK2 Q9H2X6 4/20 0.42

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
SCHEMBL4705551 1.00 CDC7 (0.42) CDC7MAP4K4PRKACAGSK3BCDK2
SCHEMBL4707786 0.83 AVPR1A (0.43) CDC7MAP4K4PRKACAGSK3BCDK2
SCHEMBL4707918 0.82 CDC7 (0.38) CDC7MAP4K4PRKACAGSK3BCDK2
SCHEMBL4707028 0.80 CDC7 (0.39) CDC7MAP4K4PRKACAGSK3BCDK2
SCHEMBL4705841 0.80 IDH1 (0.36) CDC7MAP4K4PRKACAGSK3BCDK2
SCHEMBL4790291 0.80 PTGER4 (0.40) CDC7MAP4K4PRKACAGSK3BCDK2
SCHEMBL4705280 0.80 PTGER4 (0.40) CDC7MAP4K4PRKACAGSK3BCDK2
SCHEMBL4706961 0.79 IDO1 (0.40) CDC7MAP4K4PRKACAGSK3BCDK2
SCHEMBL4707548 0.79 CDC7 (0.40) CDC7MAP4K4PRKACAGSK3BCDK2
SCHEMBL4705173 0.78 NR1H2 (0.39) CDC7MAP4K4PRKACAGSK3BCDK2

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