SCHEMBL6545461

SCHEMBL6545461

NC(=O)Cc1cc(F)c2[nH]nc(-c3cccc(F)c3)c2c1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ICMT O60725 8/20 0.45
MAP2K4 P45985 4/20 0.41
HTR7 P34969 1/20 0.38
GRK6 P43250 1/20 0.37
MAP2K7 O14733 1/20 0.37
HPGDS O60760 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CCNA1 P78396 1/20 0.36
NOTUM Q6P988 1/20 0.36
MAP4K4 O95819 1/20 0.36

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
SCHEMBL2861586 0.78 MAP2K4 (0.56) MAP2K4HTR7GRK6NOTUM
SCHEMBL2858263 0.77 HTR7 (0.44) MAP2K4HTR7NOTUMMAP4K4
SCHEMBL13636072 0.74 HTR7 (0.44) MAP2K4HTR7NOTUM
SCHEMBL2863255 0.74 TTK (0.47) MAP2K4MAP2K7
SCHEMBL4334510 0.73 MAPK1 (0.39) MAP2K4MAP2K7
SCHEMBL2868575 0.72 POLB (0.45) CCNA2CDK2CCNA1
SCHEMBL4334123 0.72 ROCK2 (0.43) MAP2K4
SCHEMBL15782613 0.72 ICMT (0.55) ICMT
SCHEMBL2859630 0.71 HTR7 (0.44) MAP2K4HTR7NOTUM
SCHEMBL2861096 0.71 MAP2K4 (0.51) MAP2K4GRK6

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-1380576-A1 NOVEL 1H-INDAZOLE COMPOUND Eisai Co., Ltd. (JP) 2004-01-14 EP disclosed