SCHEMBL7840192

SCHEMBL7840192

COc1ccc2c(c1)c(C1=C(Nc3ccccc3)C(=O)NC1=O)cn2CCCN(C)C

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 13/20 0.76
PRKCB P05771 12/20 0.76
PRKCE Q02156 8/20 0.76
PRKD1 Q15139 1/20 0.69
TDP1 Q9NUW8 1/20 0.69
GSK3B P49841 3/20 0.60
PRKACA P17612 2/20 0.57
PRKACG P22612 2/20 0.57
PRKACB P22694 2/20 0.57
FLT3 P36888 1/20 0.56
PIM1 P11309 1/20 0.55
PRKCH P24723 1/20 0.52
PRKCQ Q04759 1/20 0.52
PRKCD Q05655 1/20 0.52
CCNB2 O95067 1/20 0.51
CDK1 P06493 1/20 0.51
CCNB1 P14635 1/20 0.51
CCNB3 Q8WWL7 1/20 0.51
JAK2 O60674 1/20 0.51
JAK1 P23458 1/20 0.51

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
SCHEMBL7844233 0.89 PRKCB (0.74) PRKCAPRKCBPRKCEPRKD1TDP1
SCHEMBL7830800 0.87 PRKCA (1.00) PRKCAPRKCBPRKCEPRKD1TDP1
SCHEMBL7843214 0.84 PRKCA (1.00) PRKCAPRKCBPRKCEPRKD1TDP1
SCHEMBL14722002 0.84 PRKCB (0.55) PRKCAPRKCBPRKCEPRKD1TDP1
SCHEMBL8120702 0.84 PRKCA (0.80) PRKCAPRKCBPRKCEPRKD1TDP1
SCHEMBL7839690 0.83 JAK2 (0.77) PRKCAPRKCBPRKCEGSK3BJAK2
SCHEMBL7842630 0.81 PRKCA (0.89) PRKCAPRKCBPRKCEPRKD1TDP1
SCHEMBL1680253 0.81 PRKD1 (1.00) PRKCAPRKCBPRKCEPRKD1TDP1
SCHEMBL29353099 0.81 PRKD1 (1.00) PRKCAPRKCBPRKCEPRKD1TDP1
SCHEMBL29525501 0.81 PRKD1 (1.00) PRKCAPRKCBPRKCEPRKD1TDP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1120414-A1 DISUBSTITUTED MALEIMIDE COMPOUNDS AND MEDICINAL UTILIZATION THEREOF JAPAN TOBACCO INC. (JP) 2001-08-01 EP claimed
WO-2013029043-A1 SELECTIVE KINASE INHIBITORS REACTION BIOLOGY CORP. (US) 2013-02-28 WO disclosed
EP-1120414-A1 DISUBSTITUTED MALEIMIDE COMPOUNDS AND MEDICINAL UTILIZATION THEREOF JAPAN TOBACCO INC. (JP) 2001-08-01 EP disclosed