SCHEMBL4762233

SCHEMBL4762233

COC(=O)NCCCn1cc(C2=C(c3ccccc3OC)C(=O)NC2=O)c2cccnc21

nearest known ligand 0.86

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 20/20 0.86
PRKCB P05771 14/20 0.86
CCNB2 O95067 2/20 0.86
CDK1 P06493 2/20 0.86
CCNB1 P14635 2/20 0.86
CCNA2 P20248 2/20 0.86
CDK2 P24941 2/20 0.86
RPS6KA3 P51812 2/20 0.86
CCNA1 P78396 2/20 0.86
CCNB3 Q8WWL7 2/20 0.86
PDPK1 O15530 1/20 0.86
LYN P07948 1/20 0.86
PRKCG P05129 6/20 0.78
PRKCA P17252 6/20 0.75
QPCT Q16769 1/20 0.52

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
SCHEMBL2974578 0.93 GSK3B (0.80) GSK3BPRKCBCCNB2CDK1CCNB1
SCHEMBL13204222 0.93 GSK3B (1.00) GSK3BPRKCBCCNB2CDK1CCNB1
SCHEMBL2982963 0.91 GSK3B (0.78) GSK3BPRKCBCCNB2CDK1CCNB1
SCHEMBL2987297 0.88 GSK3B (1.00) GSK3BPRKCBCCNB2CDK1CCNB1
SCHEMBL4777800 0.87 GSK3B (0.73) GSK3BPRKCBCCNB2CDK1CCNB1
SCHEMBL2982584 0.87 GSK3B (1.00) GSK3BPRKCBCCNB2CDK1CCNB1
SCHEMBL13204339 0.86 GSK3B (1.00) GSK3BPRKCBCCNB2CDK1CCNB1
SCHEMBL2983553 0.85 GSK3B (1.00) GSK3BPRKCBCCNB2CDK1CCNB1
SCHEMBL2979275 0.85 GSK3B (1.00) GSK3BPRKCBCCNB2CDK1CCNB1
SCHEMBL4346198 0.80 GSK3B (0.73) 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 4 patents. 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
EP-1506192-B1 SUBSTITUTED PYRROLINE KINASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2008-02-27 EP disclosed
EP-1506192-A1 SUBSTITUTED PYRROLINE KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-16 EP disclosed
WO-2003095452-A1 SUBSTITUTED PYRROLINE KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2003-11-20 WO disclosed