SCHEMBL7843706

SCHEMBL7843706

O=C1NC(=O)C(c2cn(CC3CCCNC3)c3ccccc23)=C1Nc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRKCB P05771 15/20 0.59
PRKCA P17252 12/20 0.59
PRKCE Q02156 9/20 0.58
GSK3B P49841 1/20 0.54
JAK2 O60674 1/20 0.51
JAK1 P23458 1/20 0.51
TYK2 P29597 1/20 0.51
JAK3 P52333 1/20 0.51
PRKACA P17612 1/20 0.49
PRKACG P22612 1/20 0.49
PRKACB P22694 1/20 0.49
CAMK2D Q13557 1/20 0.47

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
Hydrochloric Acid SCHEMBL7846140 0.99 PRKCB (0.58) PRKCBPRKCAPRKCEGSK3BJAK2
SCHEMBL7841836 0.88 PRKCB (0.62) PRKCBPRKCAPRKCEGSK3BJAK2
SCHEMBL7832845 0.87 PRKCB (0.65) PRKCBPRKCAPRKCEGSK3BJAK2
SCHEMBL7832023 0.84 PRKACA (0.69) PRKCBPRKCAPRKCEGSK3BJAK2
SCHEMBL7841273 0.83 PRKCB (0.70) PRKCBPRKCAPRKCEGSK3BJAK2
SCHEMBL7844621 0.80 PRKCB (0.59) PRKCBPRKCAPRKCEGSK3BJAK2
Hydrochloric Acid SCHEMBL7841120 0.78 PRKCB (0.59) PRKCBPRKCAPRKCEGSK3BJAK2
SCHEMBL7842209 0.77 PRKCB (0.58) PRKCBPRKCAPRKCEGSK3BJAK2
SCHEMBL7843953 0.77 PRKCB (0.52) PRKCBPRKCAPRKCEGSK3BPRKACA
SCHEMBL7841266 0.76 PRKCB (0.67) PRKCBPRKCAPRKCEGSK3BJAK2

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