SCHEMBL4777800

SCHEMBL4777800

COC(=O)NCCCn1cc(C2=C(c3ccccc3C(F)(F)F)C(=O)NC2=O)c2cccnc21

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 19/20 0.73
PRKCB P05771 14/20 0.73
CCNB2 O95067 3/20 0.69
CDK1 P06493 3/20 0.69
CCNB1 P14635 3/20 0.69
CCNA2 P20248 3/20 0.69
CDK2 P24941 3/20 0.69
CCNA1 P78396 3/20 0.69
CCNB3 Q8WWL7 3/20 0.69
RPS6KA3 P51812 2/20 0.69
PDPK1 O15530 1/20 0.69
LYN P07948 1/20 0.69
PRKCG P05129 6/20 0.60
PRKCA P17252 6/20 0.58

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
SCHEMBL4768783 0.91 GSK3B (0.67) GSK3BPRKCBCCNB2CDK1CCNB1
SCHEMBL4762233 0.87 GSK3B (0.86) GSK3BPRKCBCCNB2CDK1CCNB1
SCHEMBL4338729 0.85 GSK3B (1.00) GSK3BPRKCBCCNB2CDK1CCNB1
SCHEMBL13204222 0.82 GSK3B (1.00) GSK3BPRKCBCCNB2CDK1CCNB1
SCHEMBL2974578 0.80 GSK3B (0.80) GSK3BPRKCBCCNB2CDK1CCNB1
SCHEMBL2982963 0.79 GSK3B (0.78) GSK3BPRKCBCCNB2CDK1CCNB1
SCHEMBL2987297 0.75 GSK3B (1.00) GSK3BPRKCBCCNB2CDK1CCNB1
SCHEMBL2982584 0.74 GSK3B (1.00) GSK3BPRKCBCCNB2CDK1CCNB1
SCHEMBL4337844 0.74 GSK3B (1.00) GSK3BPRKCBCCNB2CDK1CCNB1
SCHEMBL13204339 0.73 GSK3B (1.00) GSK3BPRKCBCCNB2CDK1CCNB1

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
EP-1900738-A2 Substituted pyrroline kinase inhibitors Janssen Pharmaceutica, N.V. (BE) 2008-03-19 EP disclosed