SCHEMBL13670445

SCHEMBL13670445

CCc1nc(OC)ncc1C1=C(c2cn(CCCC#N)c3ncccc23)C(=O)NC1=O

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 19/20 0.54
PRKCB P05771 13/20 0.54
CCNA2 P20248 4/20 0.51
CDK2 P24941 4/20 0.51
CCNB2 O95067 3/20 0.51
CDK1 P06493 3/20 0.51
CCNB1 P14635 3/20 0.51
CCNA1 P78396 3/20 0.51
CCNB3 Q8WWL7 3/20 0.51
RPS6KA3 P51812 2/20 0.51
PRKCG P05129 6/20 0.51
PRKCA P17252 5/20 0.51
PDPK1 O15530 1/20 0.46
LYN P07948 1/20 0.46
CCNT1 O60563 1/20 0.46
CDK9 P50750 1/20 0.46

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
SCHEMBL1127715 0.90 GSK3B (0.55) GSK3BPRKCBCCNA2CDK2CCNB2
SCHEMBL4341571 0.79 GSK3B (0.70) GSK3BPRKCBCCNA2CDK2CCNB2
SCHEMBL13221735 0.78 GSK3B (0.60) GSK3BPRKCBCCNA2CDK2CCNB2
SCHEMBL13221732 0.78 GSK3B (0.60) GSK3BPRKCBCCNA2CDK2CCNB2
SCHEMBL1127779 0.77 GSK3B (0.59) GSK3BPRKCBCCNA2CDK2CCNB2
SCHEMBL2979250 0.77 GSK3B (0.78) GSK3BPRKCBCCNA2CDK2CCNB2
SCHEMBL2982826 0.77 GSK3B (0.59) GSK3BPRKCBCCNA2CDK2CCNB2
SCHEMBL13204261 0.77 GSK3B (0.55) GSK3BPRKCBCCNA2CDK2CCNB2
SCHEMBL2974640 0.77 GSK3B (0.57) GSK3BPRKCBCCNA2CDK2CCNB2
SCHEMBL2974611 0.77 GSK3B (0.63) GSK3BPRKCBCCNA2CDK2CCNB2

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-2009132068-A2 TREATMENT OF PLURIPOTENT CELLS CENTOCOR ORTHO BIOTECH INC. (US) 2009-10-29 WO disclosed