SCHEMBL4706928

SCHEMBL4706928

CCc1cccc(CC)c1NC(=O)c1cc2c(NCc3cccc(F)c3)n[nH]c2s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.46
SLC26A6 Q9BXS9 1/20 0.39
RPS6KB1 P23443 3/20 0.39
AURKA O14965 2/20 0.39
AURKB Q96GD4 1/20 0.39
PTK2 Q05397 1/20 0.37
MAOB P27338 1/20 0.37
MAPT P10636 2/20 0.36
MAPK8 P45983 1/20 0.36
MAPK10 P53779 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
CSNK2A2 P19784 1/20 0.36
KDR P35968 1/20 0.36
PLK1 P53350 1/20 0.36
CSNK2B P67870 1/20 0.36
CSNK2A1 P68400 1/20 0.36
HTT P42858 1/20 0.36
CDC7 O00311 1/20 0.36
KDM5A P29375 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
SCHEMBL2410792 0.86 ALDH1A1 (0.45) MAPK1RPS6KB1AURKAAURKBMAPT
SCHEMBL2416337 0.82 MAPK1 (0.42) MAPK1MAPT
SCHEMBL2420091 0.81 CDK2 (0.42) MAPK1AURKBMAPK8LMNAKDR
SCHEMBL2417717 0.81 CDK2 (0.48) MAPK1AURKAMAPTCSNK2A2KDR
SCHEMBL2417161 0.78 LCK (0.41) MAPTMAPK8CSNK2A2KDRPLK1
SCHEMBL2414213 0.77 CDK2 (0.41) MAPTLMNA
SCHEMBL2419147 0.77 CDK2 (0.47) MAPK1RPS6KB1AURKAAURKBMAOB
SCHEMBL2419140 0.77 CDK2 (0.42) MAPK1RPS6KB1AURKAAURKBMAPT
SCHEMBL2417864 0.77 RAB9A (0.44) MAPK1MAOBMAPTCSNK2A2KDR
SCHEMBL2414984 0.76 ALDH1A1 (0.45) AURKAMAPTCDC7

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-1530573-B1 CONDENSED HETEROCYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PFIZER ITALIA SRL (IT) 2008-03-19 EP claimed