SCHEMBL3567472

SCHEMBL3567472

Nc1ncnc2scc(-c3ccc(N(OS(=O)(=O)c4ccccc4)C(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)c12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT1 P17948 10/20 0.62
CSF1R P07333 8/20 0.62
LCK P06239 8/20 0.62
FGFR1 P11362 8/20 0.62
KIT P10721 7/20 0.62
RET P07949 7/20 0.62
FLT3 P36888 6/20 0.62
GSK3B P49841 6/20 0.62
ABL1 P00519 6/20 0.62
NTRK1 P04629 6/20 0.62
RPS6KA3 P51812 6/20 0.62
ROCK1 Q13464 6/20 0.62
NTRK2 Q16620 6/20 0.62
AURKA O14965 6/20 0.62
PLK4 O00444 5/20 0.62
FYN P06241 5/20 0.62
LYN P07948 5/20 0.62
RPS6KB1 P23443 5/20 0.62
MARK3 P27448 5/20 0.62
BLK P51451 5/20 0.62

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
SCHEMBL5636003 0.88 FLT1 (0.64) FLT1CSF1RLCKFGFR1KIT
SCHEMBL3567468 0.81 KIT (0.83) FLT1CSF1RLCKFGFR1KIT
SCHEMBL3238975 0.81 FLT1 (0.70) FLT1CSF1RLCKFGFR1KIT
SCHEMBL546436 0.77 KIT (1.00) FLT1CSF1RLCKFGFR1KIT
SCHEMBL30055372 0.77 KIT (1.00) FLT1CSF1RLCKFGFR1KIT
Bromide SCHEMBL5436521 0.77 KIT (0.98) FLT1CSF1RLCKFGFR1KIT
Hydrochloric Acid SCHEMBL4301600 0.77 KIT (0.98) FLT1CSF1RLCKFGFR1KIT
SCHEMBL4473254 0.76 KIT (0.83) FLT1CSF1RLCKFGFR1KIT
Alcohol SCHEMBL3238965 0.75 FLT1 (0.93) FLT1CSF1RLCKFGFR1KIT
SCHEMBL4478648 0.74 FLT1 (0.79) FLT1CSF1RLCKFGFR1KIT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7745622-B2 Crystalline N-(4-(4-ammoniumthieno[2,3-d]pyrimidin-5-yl)phenyl)-N′-(2-fluoro-5-(trifluoromethyl)phenyl)urea benzenesulfonate ABBOTT LABORATORIES, INC. (US) 2010-06-29 US claimed
US-20070161659-A1 enzyme inhibitor of protein tyrosine kinases; anticarcinogenic agent; treating autoimmune diseases, angiogenic diseases; salts of compounds with desired physical and mechanical properties, solubility, dissolution rate, hardness, compressibility and melting point ABBVIE INC. 2007-07-12 US claimed
US-7745622-B2 Crystalline N-(4-(4-ammoniumthieno[2,3-d]pyrimidin-5-yl)phenyl)-N′-(2-fluoro-5-(trifluoromethyl)phenyl)urea benzenesulfonate ABBOTT LABORATORIES, INC. (US) 2010-06-29 US disclosed
US-7745622-B2 Crystalline N-(4-(4-ammoniumthieno[2,3-d]pyrimidin-5-yl)phenyl)-N′-(2-fluoro-5-(trifluoromethyl)phenyl)urea benzenesulfonate ABBOTT LABORATORIES, INC. (US) 2010-06-29 US disclosed
US-7745622-B2 Crystalline N-(4-(4-ammoniumthieno[2,3-d]pyrimidin-5-yl)phenyl)-N′-(2-fluoro-5-(trifluoromethyl)phenyl)urea benzenesulfonate ABBOTT LABORATORIES, INC. (US) 2010-06-29 US disclosed
US-20070161659-A1 enzyme inhibitor of protein tyrosine kinases; anticarcinogenic agent; treating autoimmune diseases, angiogenic diseases; salts of compounds with desired physical and mechanical properties, solubility, dissolution rate, hardness, compressibility and melting point ABBVIE INC. 2007-07-12 US disclosed
US-20070161659-A1 enzyme inhibitor of protein tyrosine kinases; anticarcinogenic agent; treating autoimmune diseases, angiogenic diseases; salts of compounds with desired physical and mechanical properties, solubility, dissolution rate, hardness, compressibility and melting point ABBVIE INC. 2007-07-12 US disclosed
US-20070161659-A1 enzyme inhibitor of protein tyrosine kinases; anticarcinogenic agent; treating autoimmune diseases, angiogenic diseases; salts of compounds with desired physical and mechanical properties, solubility, dissolution rate, hardness, compressibility and melting point ABBVIE INC. 2007-07-12 US disclosed