SCHEMBL7541304

SCHEMBL7541304

Nc1ccc2[nH]nc3c2c1Sc1ccccc1-3

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.41
KDR P35968 4/20 0.41
ALDH1A1 P00352 4/20 0.41
MAPK8 P45983 3/20 0.41
MAPK9 P45984 3/20 0.41
MAPK10 P53779 3/20 0.41
LCK P06239 3/20 0.41
CSF1R P07333 3/20 0.41
FGFR1 P11362 3/20 0.41
ROCK1 Q13464 3/20 0.41
AURKA O14965 3/20 0.41
PDPK1 O15530 3/20 0.41
MAPT P10636 3/20 0.41
KIT P10721 2/20 0.41
FLT3 P36888 2/20 0.41
PLK4 O00444 2/20 0.41
DAPK3 O43293 2/20 0.41
PRKD3 O94806 2/20 0.41
MAP4K4 O95819 2/20 0.41
NTRK1 P04629 2/20 0.41

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
SCHEMBL6750942 0.82 MAPK10 (0.41) KDM4EKDRALDH1A1MAPK8MAPK9
SCHEMBL7544982 0.76 KDR (0.54) KDM4EKDRALDH1A1MAPK8MAPK9
SCHEMBL18292352 0.69 KMT2A (0.60) KDM4EKDRALDH1A1MAPK8MAPK9
SCHEMBL10923929 0.67 NPY5R (0.35) PIM1EIF2AK2MAPK12NPY5RMAPK14
SCHEMBL10925471 0.64 TOP2A (0.39) KDM4EALDH1A1MAPTPOLBMEN1
SCHEMBL8717405 0.62 KDR (0.44) KDM4EKDRALDH1A1MAPK8MAPK9
SCHEMBL8720058 0.62 PIM1 (0.41) KDM4EKDRALDH1A1MAPK8MAPK9
SCHEMBL7946079 0.60 KDR (0.65) KDM4EKDRALDH1A1MAPK8MAPK9
SCHEMBL2768654 0.60 ALDH1A1 (0.60) KDM4EKDRALDH1A1MAPK8MAPK9
SCHEMBL2771305 0.59 MAPK8 (0.57) KDM4EKDRALDH1A1MAPK8MAPK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0812192-B1 BENZOTHIOPYRANOINDAZOLES ANTITUMOR AGENTS SANOFI SYNTHELABO (FR) 2002-11-06 EP disclosed
EP-0812192-A4 BENZOTHIOPYRANOINDAZOLES ANTITUMOR AGENTS SANOFI WINTHROP INC (US) 2000-03-08 EP disclosed
EP-0812192-A1 BENZOTHIOPYRANOINDAZOLES ANTITUMOR AGENTS SANOFI WINTHROP, INC. (US) 1997-12-17 EP disclosed
WO-1996026723-A1 BENZOTHIOPYRANOINDAZOLES ANTITUMOR AGENTS SANOFI WINTHROP, INC. (US) 1996-09-06 WO disclosed
US-5532263-A Benzothiopyranoindazole antitumor agents STERLING WINTHROP INC. (US) 1996-07-02 US disclosed