SCHEMBL4549833

SCHEMBL4549833

Bc1cnc(Cl)nc1NCCNC(=O)OC(C)(C)C

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
STK17B O94768 1/20 0.67
STK17A Q9UEE5 1/20 0.67
LATS1 O95835 1/20 0.46
BCHE P06276 1/20 0.44
BRD4 O60885 9/20 0.43
MALT1 Q9UDY8 1/20 0.40
CKS1B P61024 1/20 0.38
SKP1 P63208 1/20 0.38
SKP2 Q13309 1/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
OGFRL1 Q5TC84 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL2723366 0.85 STK17B (0.67) STK17BSTK17ALATS1BCHEBRD4
SCHEMBL11909214 0.85 STK17B (0.67) STK17BSTK17ALATS1BCHEBRD4
SCHEMBL13177678 0.82 GLP1R (0.45) STK17BSTK17AADORA2ATDP1
SCHEMBL12968578 0.81 STK17A (0.62) STK17BSTK17ALATS1BCHEBRD4
SCHEMBL4549831 0.81 STK17B (0.61) STK17BSTK17ALATS1BCHEBRD4
SCHEMBL20154729 0.81 STK17B (1.00) STK17BSTK17ALATS1BRD4MEN1
SCHEMBL23409124 0.79 STK17B (0.79) STK17BSTK17ALATS1BRD4MEN1
SCHEMBL24070647 0.79 STK17B (0.75) STK17BSTK17ABRD4TDP1
SCHEMBL3868126 0.79 STK17B (0.79) STK17BSTK17ABRD4MEN1GAA
SCHEMBL13518095 0.78 STK17B (0.77) STK17BSTK17ABRD4MEN1GAA

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-2012061156-A1 CDK INHIBITORS TAVARES FRANCIS X (US) 2012-05-10 WO disclosed