SCHEMBL13639772

SCHEMBL13639772

O=C(O)CSc1cnc(NC(=O)N(C2CCCCC2)C2CCC(C3C=CC=CC3)CC2)s1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 19/20 0.37
CCNE1 P24864 18/20 0.37
CCNE2 O96020 17/20 0.37
CDK4 P11802 8/20 0.37
CCND1 P24385 8/20 0.37
CCNB2 O95067 7/20 0.37
CDK1 P06493 7/20 0.37
CCNB1 P14635 7/20 0.37
CCNB3 Q8WWL7 7/20 0.37
CDK9 P50750 3/20 0.32
CDK5 Q00535 2/20 0.31
CIT O14578 1/20 0.31
CASK O14936 1/20 0.31
AURKA O14965 1/20 0.31
GAK O14976 1/20 0.31
DCLK1 O15075 1/20 0.31
MAP3K7 O43318 1/20 0.31
CCNT1 O60563 1/20 0.31
ULK1 O75385 1/20 0.31
RPS6KA5 O75582 1/20 0.31

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
SCHEMBL2665346 1.00 CDK2 (0.37) CDK2CCNE1CCNE2CDK4CCND1
SCHEMBL9072537 1.00 CDK2 (0.37) CDK2CCNE1CCNE2CDK4CCND1
SCHEMBL2665341 0.92 CDK2 (0.36) CDK2CCNE1CCNE2CDK4CCND1
SCHEMBL2665326 0.92 CDK2 (0.36) CDK2CCNE1CCNE2CDK4CCND1
SCHEMBL2606408 0.91 CDK2 (0.41) CDK2CCNE1CCNE2CDK4CCND1
SCHEMBL999286 0.86 CCNE1 (0.43) CDK2CCNE1CCNE2CDK4CCND1
SCHEMBL999125 0.86 CCNE1 (0.43) CDK2CCNE1CCNE2CDK4CCND1
SCHEMBL1000176 0.86 CCNE1 (0.43) CDK2CCNE1CCNE2CDK4CCND1
SCHEMBL999233 0.86 CCNE1 (0.43) CDK2CCNE1CCNE2CDK4CCND1
SCHEMBL998518 0.86 CCNE1 (0.43) CDK2CCNE1CCNE2CDK4CCND1

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
EP-1723128-B1 HETEROARYL-UREAS AND THEIR USE AS GLUCOKINASE ACTIVATORS NOVO NORDISK AS (DK) 2012-11-07 EP disclosed