SCHEMBL4677138

SCHEMBL4677138

COc1ccccc1C1=C(c2nn(CCCO)c3ccccc23)C(=O)NC1=O

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 16/20 0.59
PRKCB P05771 11/20 0.59
CAMK2D Q13557 1/20 0.54
PRKCG P05129 9/20 0.52
PRKCA P17252 9/20 0.52
KDR P35968 2/20 0.52
FLT3 P36888 2/20 0.52
QPCT Q16769 2/20 0.50
IDH1 O75874 1/20 0.50
PRKCD Q05655 5/20 0.49
KCNH2 Q12809 4/20 0.49
PRKCZ Q05513 2/20 0.49
KISS1R Q969F8 1/20 0.47

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
SCHEMBL2954384 0.82 GSK3B (0.56) GSK3BPRKCBCAMK2DPRKCGPRKCA
SCHEMBL3781580 0.77 GSK3B (0.66) GSK3BPRKCBPRKCGPRKCA
SCHEMBL5757131 0.76 GSK3B (0.65) GSK3BPRKCBCAMK2DPRKCGPRKCA
SCHEMBL3779590 0.75 GSK3B (0.79) GSK3BPRKCBCAMK2DPRKCGPRKCA
SCHEMBL3784374 0.74 PRKCA (0.76) GSK3BPRKCBCAMK2DPRKCGPRKCA
SCHEMBL3774788 0.74 GSK3B (0.80) GSK3BPRKCBCAMK2DPRKCGPRKCA
SCHEMBL2982584 0.74 GSK3B (1.00) GSK3BPRKCBPRKCGPRKCAIDH1
SCHEMBL5756314 0.74 PRKCA (0.73) GSK3BPRKCBPRKCGPRKCAIDH1
SCHEMBL4339857 0.74 GSK3B (0.55) GSK3BPRKCBCAMK2DPRKCGPRKCA
SCHEMBL5759900 0.74 GSK3B (0.80) GSK3BPRKCBCAMK2DPRKCGPRKCA

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-1513520-B1 SUBSTITUTED PYRROLINES AS KINASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2008-09-24 EP disclosed