SCHEMBL7840105

SCHEMBL7840105

O=C1NC(=O)C(c2c[nH]c3ccccc23)=C1NC1CCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCB P05771 13/20 1.00
JAK3 P52333 1/20 0.67
PRKCA P17252 3/20 0.62
CAMK2D Q13557 4/20 0.59
PRKACA P17612 3/20 0.59
PRKACG P22612 3/20 0.59
PRKACB P22694 3/20 0.59
CCNE2 O96020 2/20 0.59
CDK4 P11802 2/20 0.59
CCND1 P24385 2/20 0.59
CCNE1 P24864 2/20 0.59
CDK2 P24941 2/20 0.59
PRKCG P05129 2/20 0.59
PRKCH P24723 2/20 0.59
PRKCE Q02156 2/20 0.59
PRKCZ Q05513 2/20 0.59
PRKCD Q05655 2/20 0.59
PRKD3 O94806 1/20 0.59
CCNB2 O95067 1/20 0.59
ABL1 P00519 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
SCHEMBL29756313 0.81 JAK3 (1.00) PRKCBJAK3PRKCACAMK2DPRKACA
SCHEMBL21583822 0.81 JAK3 (1.00) PRKCBJAK3PRKCACAMK2DPRKACA
SCHEMBL21583821 0.78 JAK3 (0.71) PRKCBJAK3PRKCACAMK2DPRKACA
Ro-316233 SCHEMBL29373011 0.77 PRKCB (1.00) PRKCBPRKCACAMK2DPRKACAPRKACG
Ro-316233 SCHEMBL624896 0.77 PRKCB (1.00) PRKCBPRKCACAMK2DPRKACAPRKACG
SCHEMBL31060142 0.77 PRKCB (1.00) PRKCBJAK3PRKCACAMK2DPRKACA
SCHEMBL7840920 0.77 PRKCB (1.00) PRKCBJAK3PRKCACAMK2DPRKACA
SCHEMBL13917970 0.73 PRKCB (0.78) PRKCBPRKCACAMK2DPRKACAPRKACG
SCHEMBL5333315 0.73 PRKCB (0.78) PRKCBPRKCACAMK2DPRKACAPRKACG
SCHEMBL29756414 0.73 PRKCB (0.78) PRKCBPRKCACAMK2DPRKACAPRKACG

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