SCHEMBL5694501

SCHEMBL5694501

Cc1ccc(-c2cccc(C(N)=O)c2NCc2ccncc2)cc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.47
MAP4K4 O95819 3/20 0.47
CLK4 Q9HAZ1 3/20 0.47
CDC7 O00311 3/20 0.47
GSK3B P49841 2/20 0.47
PIM1 P11309 1/20 0.47
CDK2 P24941 1/20 0.47
MKNK2 Q9HBH9 1/20 0.46
CSF1R P07333 4/20 0.43
HDAC1 Q13547 1/20 0.41
MAPK1 P28482 1/20 0.40
ALOX5AP P20292 1/20 0.40
FEN1 P39748 1/20 0.40
CD38 P28907 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RET P07949 2/20 0.39
ADRA2C P18825 1/20 0.39
RPS6KB1 P23443 2/20 0.39
ABL1 P00519 3/20 0.39
FLT1 P17948 3/20 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
SCHEMBL7739239 0.85 CDC7 (0.48) ROCK2MAP4K4CLK4CDC7GSK3B
SCHEMBL6131490 0.85 GSK3B (0.48) ROCK2MAP4K4CLK4CDC7GSK3B
SCHEMBL7732439 0.80 KDR (0.55) ROCK2CLK4GSK3BMKNK2CSF1R
SCHEMBL7737558 0.80 KDR (0.47) ROCK2MAP4K4CLK4CDC7GSK3B
SCHEMBL7460271 0.80 CDC7 (0.46) ROCK2MAP4K4CLK4CDC7GSK3B
SCHEMBL7738450 0.79 RET (0.55) ROCK2MAP4K4CLK4CDC7GSK3B
SCHEMBL6680013 0.77 CDC7 (0.40) ROCK2MAP4K4CLK4CDC7GSK3B
Hydrochloric Acid SCHEMBL9960799 0.75 CDC7 (0.46) ROCK2MAP4K4CLK4CDC7GSK3B
SCHEMBL7739127 0.75 RPS6KB1 (0.50) CSF1RCD38RPS6KB1ABL1FLT1
SCHEMBL7739113 0.73 CDC7 (0.43) ROCK2MAP4K4CLK4CDC7GSK3B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1667721-A2 COMBINATIONS OF A VEGF RECEPTOR INHIBITOR WITH OTHER THERAPEUTIC AGENTS Novartis AG (CH) 2006-06-14 EP disclosed
WO-2005027973-A2 COMBINATIONS OF A VEGF RECEPTOR INHIBITOR WITH OTHER THERAPEUTIC AGENTS NOVARTIS AG (CH) 2005-03-31 WO disclosed