SCHEMBL7844233

SCHEMBL7844233

COc1ccc2c(c1)c(C1=C(Nc3ccccc3)C(=O)NC1=O)cn2CCCO

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRKCB P05771 12/20 0.74
PRKCA P17252 12/20 0.74
PRKCE Q02156 9/20 0.74
GSK3B P49841 5/20 0.54
KDR P35968 1/20 0.54
FLT3 P36888 1/20 0.54
PRKD1 Q15139 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
JAK2 O60674 1/20 0.53
JAK1 P23458 1/20 0.53
TYK2 P29597 1/20 0.53
JAK3 P52333 1/20 0.53
QPCT Q16769 3/20 0.53

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
SCHEMBL7840192 0.89 PRKCA (0.76) PRKCBPRKCAPRKCEGSK3BFLT3
SCHEMBL14041503 0.87 GSK3B (0.62) GSK3BKDRFLT3PRKD1TDP1
SCHEMBL14722002 0.85 PRKCB (0.55) PRKCBPRKCAPRKCEGSK3BPRKD1
SCHEMBL7842285 0.85 PRKCB (1.00) PRKCBPRKCAPRKCEGSK3BJAK2
SCHEMBL7839690 0.85 JAK2 (0.77) PRKCBPRKCAPRKCEGSK3BJAK2
SCHEMBL14041601 0.83 GSK3B (0.66) PRKCAGSK3BKDRFLT3
SCHEMBL7842615 0.82 PRKCB (0.94) PRKCBPRKCAPRKCEGSK3BJAK2
SCHEMBL9083990 0.81 PRKD1 (0.81) PRKCBPRKCAPRKCEGSK3BKDR
SCHEMBL9087453 0.79 PRKD1 (0.70) GSK3BKDRFLT3PRKD1TDP1
SCHEMBL7838411 0.79 PRKCB (0.80) PRKCBPRKCAPRKCEGSK3BKDR

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 2 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
EP-1120414-A1 DISUBSTITUTED MALEIMIDE COMPOUNDS AND MEDICINAL UTILIZATION THEREOF JAPAN TOBACCO INC. (JP) 2001-08-01 EP disclosed