SCHEMBL6962991

SCHEMBL6962991

CN1CCC(n2cnc(-c3ccccc3F)c2-c2ccnc(Nc3cccc(Br)c3)n2)CC1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 14/20 0.64
BRD4 O60885 9/20 0.48
BRDT Q58F21 2/20 0.47
BRD2 P25440 1/20 0.46
BRD3 Q15059 1/20 0.46
ACVR1 Q04771 1/20 0.41

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
SCHEMBL7907051 0.91 MAPK14 (0.77) MAPK14BRD4BRDTBRD2BRD3
SCHEMBL4593693 0.88 MAPK14 (0.81) MAPK14BRD4BRDTBRD2BRD3
SCHEMBL7715290 0.80 MAPK14 (0.56) MAPK14
SCHEMBL6957344 0.78 MAPK14 (1.00) MAPK14BRD4BRDTBRD2BRD3
SCHEMBL4585936 0.77 MAPK14 (0.53) MAPK14BRDT
SCHEMBL8524327 0.77 MAPK14 (0.59) MAPK14BRD4BRDTBRD2BRD3
SCHEMBL8162468 0.76 MAPK14 (0.52) MAPK14
SCHEMBL4602363 0.76 MAPK14 (0.52) MAPK14BRDT
SCHEMBL7907043 0.75 MAPK14 (0.56) MAPK14BRD4BRDTBRD2BRD3
SCHEMBL7767922 0.71 MAPK14 (0.63) MAPK14BRD4BRDT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0831830-B1 IMIDAZOLE COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2003-03-05 EP disclosed