SCHEMBL6530184

SCHEMBL6530184

NC(=O)Nc1sc(NC(=O)C2CCCNC2)cc1C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 17/20 0.48
CDK2AP1 O14519 7/20 0.48
MAPK1 P28482 1/20 0.47
GFER P55789 1/20 0.47
IKBKB O14920 1/20 0.46

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
SCHEMBL6507196 0.79 MAPK1 (0.49) CHEK1MAPK1GFERIKBKB
SCHEMBL6530224 0.79 MAPK1 (0.49) CHEK1MAPK1GFERIKBKB
Hydrochloric Acid SCHEMBL6506232 0.78 MAPK1 (0.48) CHEK1MAPK1GFERIKBKB
SCHEMBL6509261 0.76 MAPK1 (0.49) CHEK1MAPK1GFERIKBKB
SCHEMBL6509035 0.75 MAPK1 (0.48) CHEK1MAPK1GFERIKBKB
SCHEMBL6507207 0.74 MAPK1 (0.47) CHEK1MAPK1GFERIKBKB
SCHEMBL6510188 0.72 CYP3A4 (0.48) CHEK1MAPK1GFERIKBKB
SCHEMBL6510199 0.72 CYP3A4 (0.48) CHEK1MAPK1GFERIKBKB
SCHEMBL6507091 0.70 CHEK1 (0.47) CHEK1MAPK1GFERIKBKB
SCHEMBL6510436 0.70 MAPK1 (0.43) CHEK1MAPK1GFERIKBKB

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
WO-2005105777-A1 SUBSTITUTED THIOPHENE AMIDE COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA & UPJOHN COMPANY LLC (US) 2005-11-10 WO disclosed