SCHEMBL4770932

SCHEMBL4770932

NC(=O)c1cccc(-c2cccs2)c1-c1ccnc2[nH]ncc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 2/20 0.41
TGFBR1 P36897 1/20 0.39
MAPK14 Q16539 1/20 0.39
BTK Q06187 3/20 0.39
CHEK1 O14757 2/20 0.39
ROCK1 Q13464 2/20 0.39
PLK4 O00444 1/20 0.39
AURKA O14965 1/20 0.39
DAPK3 O43293 1/20 0.39
MAP4K4 O95819 1/20 0.39
CSF1R P07333 1/20 0.39
RET P07949 1/20 0.39
FGFR1 P11362 1/20 0.39
PDGFRA P16234 1/20 0.39
LTK P29376 1/20 0.39
KDR P35968 1/20 0.39
MAP2K2 P36507 1/20 0.39
FLT3 P36888 1/20 0.39
CSNK1A1 P48729 1/20 0.39
PRKX P51817 1/20 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
SCHEMBL4770923 0.81 CDC7 (0.38) NUDT1BTKLTKCSNK1A1CDK5
SCHEMBL4768901 0.78 NUDT1 (0.65) NUDT1MAPK14BTKCHEK1ROCK1
SCHEMBL27740539 0.73 KDM4E (0.47) BTKCHEK1ROCK1PLK4MAP4K4
SCHEMBL4288319 0.72 BTK (0.43) NUDT1MAPK14BTKTNK2PRKCQ
SCHEMBL4288326 0.71 BTK (0.44) NUDT1BTKTNK2SYKPRKCQ
SCHEMBL29499046 0.70 RET (0.46) NUDT1BTKCHEK1ROCK1PLK4
SCHEMBL1694892 0.70 RET (0.46) NUDT1BTKCHEK1ROCK1PLK4
SCHEMBL17237437 0.70 SIRT3 (0.51) MAPK14BTKCHEK1AURKARET
SCHEMBL27399023 0.67 BTK (0.39) NUDT1BTKROCK1SYKPRKCQ
SCHEMBL3559657 0.67 ALDH1A1 (0.54) BTKCSNK1A1DYRK1BKEAP1NFE2L2

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-1934181-A2 KINASE INHIBITORS Devgen NV (BE) 2008-06-25 EP claimed
WO-2007042321-A2 KINASE INHIBITORS DEVGEN N.V. (BE) 2007-04-19 WO claimed