SCHEMBL4559733

SCHEMBL4559733

CNC(=O)Nc1n[nH]c2cc(Br)ccc12

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 4/20 0.74
GSK3B P49841 11/20 0.67
NTRK1 P04629 1/20 0.51
PDPK1 O15530 1/20 0.47
JAK2 O60674 1/20 0.47
IDO1 P14902 1/20 0.45
HDAC6 Q9UBN7 2/20 0.44

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
SCHEMBL4488169 0.82 GSK3B (0.82) DYRK1AGSK3B
SCHEMBL4486472 0.82 DYRK1A (0.76) DYRK1AGSK3BPDPK1JAK2IDO1
SCHEMBL31061530 0.81 GSK3B (1.00) DYRK1AGSK3B
SCHEMBL6490286 0.81 GSK3B (1.00) DYRK1AGSK3B
SCHEMBL2261204 0.80 DYRK1A (0.65) DYRK1AGSK3BPDPK1JAK2IDO1
SCHEMBL15484452 0.80 DYRK1A (0.69) DYRK1AGSK3BPDPK1JAK2IDO1
SCHEMBL6478928 0.80 DYRK1A (0.69) DYRK1AGSK3BPDPK1JAK2IDO1
SCHEMBL6478923 0.80 DYRK1A (0.69) DYRK1AGSK3BPDPK1JAK2IDO1
SCHEMBL17848098 0.79 DYRK1A (0.85) DYRK1AGSK3BPDPK1JAK2IDO1
SCHEMBL17859180 0.79 GSK3B (0.74) DYRK1AGSK3B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2637660-A1 FATTY ACID SYNTHASE INHIBITORS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2013-09-18 EP disclosed
WO-2012064642-A1 FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2012-05-18 WO disclosed