SCHEMBL4677124

SCHEMBL4677124

O=C1NC(=O)C(c2cn(-c3cccnc3)c3ccccc23)=C1c1cccs1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 10/20 0.64
PRKCA P17252 6/20 0.64
PRKCB P05771 6/20 0.64
PRKCG P05129 4/20 0.57
PRKCD Q05655 3/20 0.57
PRKCZ Q05513 1/20 0.57
KCNH2 Q12809 1/20 0.57
CAMK2D Q13557 3/20 0.55
CDK2 P24941 2/20 0.44
CCNT1 O60563 1/20 0.44
PIM1 P11309 1/20 0.44
CCNA2 P20248 1/20 0.44
CDK9 P50750 1/20 0.44
CDK5 Q00535 1/20 0.44
CDK5R1 Q15078 1/20 0.44
CCNE2 O96020 1/20 0.43
CDK4 P11802 1/20 0.43
CCND1 P24385 1/20 0.43
CCNE1 P24864 1/20 0.43
QPCT Q16769 1/20 0.43

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 0.84 GSK3B (0.71) GSK3BPRKCAPRKCBPRKCGPRKCD
SCHEMBL4682932 0.81 GSK3B (0.67) GSK3BPRKCAPRKCBPRKCGPRKCD
SCHEMBL3774109 0.81 GSK3B (0.66) GSK3BPRKCAPRKCBPRKCGPRKCD
SCHEMBL4740834 0.80 GSK3B (0.65) GSK3BPRKCAPRKCBPRKCGPRKCD
SCHEMBL13670446 0.80 GSK3B (0.65) GSK3BPRKCAPRKCBPRKCGPRKCD
SCHEMBL6242476 0.79 GSK3B (0.44) GSK3BPRKCAPRKCBPRKCGPRKCD
SCHEMBL1127716 0.79 GSK3B (0.64) GSK3BPRKCAPRKCBPRKCGPRKCD
SCHEMBL3773898 0.78 GSK3B (1.00) GSK3BPRKCAPRKCBPRKCGPRKCD
SCHEMBL1127978 0.78 GSK3B (0.63) GSK3BPRKCAPRKCBPRKCGPRKCD
SCHEMBL8161694 0.77 GSK3B (1.00) GSK3BPRKCACAMK2DCDK2CCNE2

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