SCHEMBL14050806

SCHEMBL14050806

CC(C)(C)OC(=O)Nc1cc(N2CCCC2)nc2c(SC#N)cnn12

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 1/20 0.38
BTK Q06187 1/20 0.38
BCL6 P41182 2/20 0.36
TYK2 P29597 3/20 0.34
EGLN2 Q96KS0 2/20 0.34
GSK3B P49841 1/20 0.34
DYRK1A Q13627 1/20 0.34
CSNK2A1 P68400 3/20 0.34
RET P07949 3/20 0.33
GPR119 Q8TDV5 2/20 0.33
CKS1B P61024 2/20 0.33
SKP1 P63208 2/20 0.33
SKP2 Q13309 2/20 0.33
GALR2 O43603 1/20 0.33
GALR1 P47211 1/20 0.33

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
SCHEMBL14413687 0.86 BTK (0.48) JAK3BTKRETCKS1BSKP1
SCHEMBL14050997 0.85 JAK3 (0.37) JAK3BTKBCL6CSNK2A1RET
SCHEMBL14050908 0.82 TYK2 (0.39) JAK3BTKBCL6TYK2GSK3B
SCHEMBL17690946 0.76 CKS1B (0.49) GPR119CKS1BSKP1SKP2GALR2
SCHEMBL14413677 0.75 CKS1B (0.48) RETGPR119CKS1BSKP1SKP2
SCHEMBL14413691 0.75 BTK (0.45) JAK3BTKCKS1BSKP1SKP2
SCHEMBL14051087 0.74 BCL6 (0.38) JAK3BTKBCL6EGLN2CSNK2A1
SCHEMBL14413660 0.74 CKS1B (0.45) RETGPR119CKS1BSKP1SKP2
SCHEMBL14051076 0.73 USP2 (0.41) BCL6TYK2EGLN2CSNK2A1
SCHEMBL14413674 0.72 CKS1B (0.51) JAK3BTKRETCKS1BSKP1

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-2008130569-A1 NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORPORATION (US) 2008-10-30 WO disclosed