SCHEMBL7841836

SCHEMBL7841836

O=C1NC(=O)C(c2cn(CC3CCNCC3)c3ccccc23)=C1Nc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PRKCB P05771 19/20 0.62
PRKCA P17252 12/20 0.62
PRKCE Q02156 9/20 0.62
GSK3B P49841 1/20 0.58
JAK2 O60674 1/20 0.55
JAK1 P23458 1/20 0.55
TYK2 P29597 1/20 0.55
JAK3 P52333 1/20 0.55

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
SCHEMBL7843706 0.88 PRKCB (0.59) PRKCBPRKCAPRKCEGSK3BJAK2
SCHEMBL7841273 0.88 PRKCB (0.70) PRKCBPRKCAPRKCEGSK3BJAK2
Hydrochloric Acid SCHEMBL7846140 0.88 PRKCB (0.58) PRKCBPRKCAPRKCEGSK3BJAK2
SCHEMBL7844621 0.85 PRKCB (0.59) PRKCBPRKCAPRKCEGSK3BJAK2
SCHEMBL7832023 0.84 PRKACA (0.69) PRKCBPRKCAPRKCEGSK3BJAK2
Hydrochloric Acid SCHEMBL7841120 0.83 PRKCB (0.59) PRKCBPRKCAPRKCEGSK3BJAK2
SCHEMBL7842209 0.82 PRKCB (0.58) PRKCBPRKCAPRKCEGSK3BJAK2
SCHEMBL7832845 0.79 PRKCB (0.65) PRKCBPRKCAPRKCEGSK3BJAK2
SCHEMBL7840914 0.78 PRKCB (0.87) PRKCBPRKCAPRKCEGSK3BJAK2
SCHEMBL7841458 0.78 PRKCB (0.78) 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