SCHEMBL7285339

SCHEMBL7285339

Cn1c2c(c3cccc(F)c31)C(=O)NCC2

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.42
BCHE P06276 3/20 0.41
ACHE P22303 2/20 0.41
BRD2 P25440 1/20 0.40
BRD3 Q15059 1/20 0.40
CREBBP Q92793 1/20 0.40
ALB P02768 1/20 0.39
CDC7 O00311 1/20 0.37
PKN1 Q16512 1/20 0.37
PKN2 Q16513 1/20 0.37
JAK2 O60674 1/20 0.37
BTK Q06187 1/20 0.37
MCHR1 Q99705 1/20 0.36
PARP1 P09874 1/20 0.36

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
SCHEMBL7294032 0.93 BCHE (0.49) BCHEACHEALBMCHR1
SCHEMBL7286561 0.84 PARP1 (0.45) BRD4BCHEACHEBRD2BRD3
SCHEMBL7282759 0.83 PARP10 (0.44) BRD4BCHEACHEBRD2BRD3
SCHEMBL7291788 0.82 RIPK3 (0.42) BRD4BCHEACHEBRD2BRD3
SCHEMBL7285287 0.81 CYP19A1 (0.49) BRD4BCHEACHEBRD2BRD3
SCHEMBL7294670 0.80 PARP10 (0.50) BRD4BCHEACHEBRD2BRD3
SCHEMBL7302751 0.80 BRD4 (0.40) BRD4BCHEACHEBRD2BRD3
SCHEMBL7283870 0.79 CDC7 (0.39) BRD4BCHEACHECDC7PKN1
SCHEMBL7285389 0.78 JAK2 (0.38) BRD4CREBBPJAK2BTKPARP1
SCHEMBL918 0.76 BRD4 (0.57) BRD4BCHEACHEBRD2BRD3

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-0353983-B1 Lactam derivatives GLAXO GROUP LTD (GB) 1996-05-29 EP disclosed
US-5183820-A Useful for treatment of nausea, vomiting, irritable bowel syndrome and dyspepsia GLAXO GROUP LIMITED (GB) 1993-02-02 US disclosed
EP-0353983-A2 Lactam derivatives GLAXO GROUP LIMITED (GB) 1990-02-07 EP disclosed