SCHEMBL7103137

SCHEMBL7103137

CCc1ccc(-c2nc(/N=C\CNc3ccc(C#N)cn3)ncc2-c2ncc[nH]2)cc1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.35
CCNB2 O95067 1/20 0.35
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35
RPS6KB1 P23443 1/20 0.35
CDK2 P24941 1/20 0.35
GSK3A P49840 1/20 0.35
LIMK1 P53667 1/20 0.35
TAOK1 Q7L7X3 1/20 0.35
CCNB3 Q8WWL7 1/20 0.35
SLK Q9H2G2 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
CSNK1G1 Q9HCP0 1/20 0.35
KDM1A O60341 1/20 0.34
HRH3 Q9Y5N1 1/20 0.32
KIT P10721 1/20 0.31
IDH1 O75874 1/20 0.30
CCNK O75909 1/20 0.30
CDK12 Q9NYV4 1/20 0.30

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
SCHEMBL7103143 1.00 GSK3B (0.35) GSK3BCCNB2CDK1CCNB1RPS6KB1
SCHEMBL5089143 0.82 GSK3B (0.52) GSK3BCCNB2CDK1CCNB1RPS6KB1
SCHEMBL5024316 0.74 GSK3B (0.54) GSK3BCCNB2CDK1CCNB1RPS6KB1
SCHEMBL5089226 0.71 GSK3B (0.60) GSK3BCCNB2CDK1CCNB1RPS6KB1
SCHEMBL5023309 0.69 GSK3B (0.49) GSK3BCCNB2CDK1CCNB1RPS6KB1
SCHEMBL7853388 0.69 GSK3B (0.49) GSK3BCCNB2CDK1CCNB1GSK3A
SCHEMBL14096867 0.68 GSK3B (0.47) GSK3BCCNB2CDK1CCNB1RPS6KB1
SCHEMBL7856003 0.68 KMT2A (0.44)
SCHEMBL7853495 0.67 GSK3B (0.46) GSK3BCCNB2CDK1CCNB1RPS6KB1
SCHEMBL7023251 0.67 GSK3B (0.46) GSK3BCCNB2CDK1CCNB1RPS6KB1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1317433-A2 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2003-06-11 EP disclosed
WO-2002020495-A2 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2002-03-14 WO disclosed