SCHEMBL14554331

SCHEMBL14554331

CN(CCCNC(=O)OC(C)(C)C)c1ccc(C#N)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 1/20 0.48
SKP1 P63208 1/20 0.48
SKP2 Q13309 1/20 0.48
CCNC P24863 1/20 0.46
CDK8 P49336 1/20 0.46
CA12 O43570 5/20 0.42
CA1 P00915 5/20 0.42
CA2 P00918 5/20 0.42
CA9 Q16790 5/20 0.42
FNTA P49354 2/20 0.41
FNTB P49356 2/20 0.41
PGGT1B P53609 2/20 0.41
KCNH2 Q12809 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
MGLL Q99685 2/20 0.40
STK17B O94768 1/20 0.40
STK17A Q9UEE5 1/20 0.40
TRPV1 Q8NER1 1/20 0.39
CYP3A4 P08684 1/20 0.38
EGLN2 Q96KS0 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
SCHEMBL14554486 0.93 CKS1B (0.55) CKS1BSKP1SKP2CCNCCDK8
SCHEMBL14485496 0.84 SIGMAR1 (0.44) MGLLTRPV1SCN9A
SCHEMBL14554343 0.83 CKS1B (0.44) CKS1BSKP1SKP2CCNCCDK8
SCHEMBL14554497 0.80 CKS1B (0.44) CKS1BSKP1SKP2CCNCCDK8
SCHEMBL1937712 0.79 STK17B (0.47) CA12CA1CA2CA9KCNH2
SCHEMBL14554636 0.77 CKS1B (0.59) CKS1BSKP1SKP2CCNCCDK8
SCHEMBL17858003 0.77 CKS1B (0.52) CKS1BSKP1SKP2CCNCCDK8
SCHEMBL14484916 0.77 HCAR3 (0.44) CKS1BSKP1SKP2EGLN2
SCHEMBL12185205 0.77 EGLN2 (0.43) CA12CA1CA2CA9EGLN2
SCHEMBL14554387 0.76 CKS1B (0.58) CKS1BSKP1SKP2CA12CA1

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-2013006408-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2013-01-10 WO disclosed