SCHEMBL7842735

SCHEMBL7842735

COc1cccc(NC2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PRKCB P05771 9/20 1.00
JAK3 P52333 10/20 0.70
PRKCA P17252 1/20 0.70
STK10 O94804 1/20 0.68
SLK Q9H2G2 1/20 0.68
JAK1 P23458 4/20 0.61
JAK2 O60674 4/20 0.61
TYK2 P29597 1/20 0.59

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
SCHEMBL7830740 0.89 PRKCB (0.80) PRKCBJAK3PRKCAJAK1JAK2
SCHEMBL5819295 0.85 PRKCB (0.74) PRKCBJAK3PRKCASTK10SLK
SCHEMBL7831655 0.85 PRKCB (1.00) PRKCBJAK3PRKCAJAK1JAK2
SCHEMBL7832745 0.84 PRKCB (0.72) PRKCBJAK3PRKCASTK10SLK
SCHEMBL7840226 0.84 PRKCB (0.72) PRKCBJAK3PRKCASTK10SLK
SCHEMBL31060142 0.83 PRKCB (1.00) PRKCBJAK3PRKCASTK10SLK
SCHEMBL7840920 0.83 PRKCB (1.00) PRKCBJAK3PRKCASTK10SLK
SCHEMBL7841740 0.83 PRKCB (0.79) PRKCBJAK3PRKCAJAK1JAK2
SCHEMBL7841411 0.83 PRKCB (1.00) PRKCBJAK3PRKCASTK10SLK
SCHEMBL7841496 0.83 PRKCB (0.75) PRKCBJAK3PRKCAJAK1JAK2

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 4 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
JP-2000109479-A DI-SUBSTITUTED MALEIMIDE COMPOUND, AND ITS USE AS MEDICINE JAPAN TOBACCO INC 2000-04-18 JP disclosed