SCHEMBL7815822

SCHEMBL7815822

Cc1cc(C)cc(Oc2nccc(-c3c(-c4ccc(F)cc4)nc(-c4nc(-c5ccc(F)cc5)c(-c5ccnc(Oc6cc(C)ccc6C)n5)n4C4CCNCC4)n3C3CCNCC3)n2)c1

nearest known ligand 0.70

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 16/20 0.70
BRD4 O60885 10/20 0.68
BRDT Q58F21 4/20 0.68
MAPK11 Q15759 2/20 0.55

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
SCHEMBL7815820 0.88 MAPK14 (0.91) MAPK14BRD4BRDTMAPK11
SCHEMBL6943872 0.83 MAPK14 (1.00) MAPK14BRD4BRDTMAPK11
SCHEMBL6943923 0.81 MAPK14 (1.00) MAPK14BRD4BRDT
SCHEMBL22730499 0.80 MAPK14 (1.00) MAPK14BRD4BRDT
SCHEMBL3300552 0.78 MAPK14 (1.00) MAPK14BRD4BRDTMAPK11
Trifluoroacetic Acid SCHEMBL6948788 0.77 MAPK14 (0.87) MAPK14BRD4BRDTMAPK11
SCHEMBL22730374 0.76 MAPK14 (0.88) MAPK14BRD4BRDT
SCHEMBL8655733 0.75 MAPK14 (0.66) MAPK14BRD4BRDTMAPK11
Trifluoroacetic Acid SCHEMBL6950915 0.75 MAPK14 (0.86) MAPK14BRD4BRDT
SCHEMBL6943778 0.75 MAPK14 (1.00) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0996446-A4 NOVEL SUBSTITUTED IMIDAZOLE COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2001-08-29 EP claimed
EP-0996446-A1 NOVEL SUBSTITUTED IMIDAZOLE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2000-05-03 EP claimed
WO-1999001131-A1 NOVEL SUBSTITUTED IMIDAZOLE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1999-01-14 WO claimed