SCHEMBL14722002

SCHEMBL14722002

COc1ccc2c(c1)c(C1=C(Nc3ccccc3)C(=O)NC1=O)cn2CCC(C)(C)N

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRKCB P05771 12/20 0.55
PRKCA P17252 12/20 0.55
PRKCE Q02156 9/20 0.53
GSK3B P49841 5/20 0.49
PRKD1 Q15139 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
QPCT Q16769 3/20 0.47
JAK2 O60674 1/20 0.47
JAK1 P23458 1/20 0.47
TYK2 P29597 1/20 0.47
JAK3 P52333 1/20 0.47
STK10 O94804 1/20 0.46
SLK Q9H2G2 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
SCHEMBL7844233 0.85 PRKCB (0.74) PRKCBPRKCAPRKCEGSK3BPRKD1
SCHEMBL7840192 0.84 PRKCA (0.76) PRKCBPRKCAPRKCEGSK3BPRKD1
SCHEMBL14722003 0.83 GSK3B (0.48) PRKCBPRKCAPRKCEGSK3BSTK10
SCHEMBL7839690 0.80 JAK2 (0.77) PRKCBPRKCAPRKCEGSK3BQPCT
SCHEMBL7840914 0.71 PRKCB (0.87) PRKCBPRKCAPRKCEGSK3BJAK2
SCHEMBL14041503 0.71 GSK3B (0.62) GSK3BPRKD1TDP1QPCT
SCHEMBL7842250 0.71 PRKCA (1.00) PRKCBPRKCAPRKCEGSK3BPRKD1
SCHEMBL14721743 0.71 GSK3B (0.53) PRKCBPRKCAPRKCEGSK3B
SCHEMBL5819295 0.70 PRKCB (0.74) PRKCBPRKCAGSK3BJAK2JAK1
SCHEMBL9085883 0.70 PRKD1 (0.79) PRKCBPRKCAPRKCEGSK3BPRKD1

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
WO-2013029043-A1 SELECTIVE KINASE INHIBITORS REACTION BIOLOGY CORP. (US) 2013-02-28 WO disclosed