SCHEMBL7843569

SCHEMBL7843569

O=C1NC(=O)C(c2cn(CCCN3CCCCC3)c3ccccc23)=C1Nc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRKCB P05771 13/20 1.00
PRKCA P17252 12/20 1.00
PRKCE Q02156 9/20 1.00
JAK2 O60674 1/20 0.66
JAK1 P23458 1/20 0.66
TYK2 P29597 1/20 0.66
JAK3 P52333 1/20 0.66
GSK3B P49841 4/20 0.60
PRKACA P17612 2/20 0.55
PRKACG P22612 2/20 0.55
PRKACB P22694 2/20 0.55
CAMK2D Q13557 1/20 0.55
QPCT Q16769 2/20 0.53
KDR P35968 1/20 0.53
FLT3 P36888 1/20 0.53

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
SCHEMBL7832843 1.00 PRKCB (1.00) PRKCBPRKCAPRKCEJAK2JAK1
SCHEMBL7839539 0.99 PRKCB (1.00) PRKCBPRKCAPRKCEJAK2JAK1
SCHEMBL7840532 0.92 PRKCB (0.84) PRKCBPRKCAPRKCEJAK2JAK1
SCHEMBL7831659 0.91 PRKCB (1.00) PRKCBPRKCAPRKCEJAK2JAK1
SCHEMBL7838211 0.91 PRKCB (0.84) PRKCBPRKCAPRKCEJAK2JAK1
SCHEMBL7842921 0.90 PRKCB (0.84) PRKCBPRKCAPRKCEJAK2JAK1
SCHEMBL7840150 0.90 PRKCB (0.84) PRKCBPRKCAPRKCEJAK2JAK1
SCHEMBL7845445 0.90 PRKCB (0.84) PRKCBPRKCAPRKCEJAK2JAK1
SCHEMBL7841465 0.89 PRKCB (0.96) PRKCBPRKCAPRKCEJAK2JAK1
SCHEMBL7839507 0.89 PRKCB (0.81) PRKCBPRKCAPRKCEJAK2JAK1

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