SCHEMBL8835006

SCHEMBL8835006

CCc1ccc2ncc(NC(=O)Nc3c(SC)nc(C)nc3SC)c(-c3ccccc3Cl)c2c1

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KIT P10721 1/20 0.38
CDK8 P49336 1/20 0.38
ACVR1 Q04771 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38

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
SCHEMBL8835022 0.90 SOAT1 (0.37)
SCHEMBL8835003 0.90
SCHEMBL8835190 0.90
SCHEMBL8835325 0.86
SCHEMBL8835173 0.83 KIT (0.39) KITCDK8ACVR1CLK4
SCHEMBL8835242 0.82
SCHEMBL8835100 0.80
SCHEMBL8835255 0.80
SCHEMBL9159328 0.79
SCHEMBL8542241 0.79 MAPT (0.36)

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
US-5596001-A 4-aryl-3-(heteroarylureido)quinoline derivatves PFIZER INC. (US) 1997-01-21 US claimed
EP-0590094-A1 4-ARYL-3-(HETEROARYLUREIDO)QUINOLINE DERIVATIVES PFIZER INC. (US) 1994-04-06 EP claimed
WO-1992019614-A1 4-ARYL-3-(HETEROARYLUREIDO)QUINOLINE DERIVATIVES PFIZER INC. (US) 1992-11-12 WO claimed
US-5596001-A 4-aryl-3-(heteroarylureido)quinoline derivatves PFIZER INC. (US) 1997-01-21 US disclosed
WO-1992019614-A1 4-ARYL-3-(HETEROARYLUREIDO)QUINOLINE DERIVATIVES PFIZER INC. (US) 1992-11-12 WO disclosed