SCHEMBL4682932

SCHEMBL4682932

O=C1NC(=O)C(c2cn(-c3cccnc3)c3ccccc23)=C1c1ccccc1O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 9/20 0.67
PRKCB P05771 4/20 0.67
PRKCA P17252 4/20 0.67
PRKCG P05129 2/20 0.57
PRKCZ Q05513 1/20 0.57
PRKCD Q05655 1/20 0.57
KCNH2 Q12809 1/20 0.57
CAMK2D Q13557 1/20 0.48
CDK2 P24941 3/20 0.46
CCNA2 P20248 2/20 0.46
CCNT1 O60563 1/20 0.46
PIM1 P11309 1/20 0.46
CDK9 P50750 1/20 0.46
CDK5 Q00535 1/20 0.46
CDK5R1 Q15078 1/20 0.46
CCNB2 O95067 1/20 0.46
CDK1 P06493 1/20 0.46
CCNB1 P14635 1/20 0.46
RPS6KA3 P51812 1/20 0.46
CCNA1 P78396 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
SCHEMBL6069262 0.87 GSK3B (0.71) GSK3BPRKCBPRKCAPRKCGPRKCZ
SCHEMBL4740834 0.87 GSK3B (0.65) GSK3BPRKCBPRKCAPRKCGPRKCZ
SCHEMBL13670446 0.84 GSK3B (0.65) GSK3BPRKCBPRKCAPRKCGPRKCZ
SCHEMBL1127716 0.84 GSK3B (0.64) GSK3BPRKCBPRKCAPRKCGPRKCZ
SCHEMBL3774109 0.83 GSK3B (0.66) GSK3BPRKCBPRKCAPRKCGPRKCZ
SCHEMBL1127978 0.83 GSK3B (0.63) GSK3BPRKCBPRKCAPRKCGPRKCZ
SCHEMBL4677124 0.81 GSK3B (0.64) GSK3BPRKCBPRKCAPRKCGPRKCZ
SCHEMBL3773898 0.81 GSK3B (1.00) GSK3BPRKCBPRKCAPRKCGPRKCZ
SCHEMBL5756894 0.79 GSK3B (0.76) GSK3BPRKCBPRKCAPRKCGPRKCZ
SCHEMBL3779590 0.77 GSK3B (0.79) GSK3BPRKCBPRKCAPRKCGPRKCZ

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