SCHEMBL6970476

SCHEMBL6970476

O=C1CCC(n2cnc(-c3ccc(F)cc3)c2-c2ccnc(Oc3ccccc3)n2)CC1

nearest known ligand 0.81

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 19/20 0.81
BRD4 O60885 2/20 0.66
BRDT Q58F21 1/20 0.66

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
SCHEMBL6948154 0.94 MAPK14 (0.90) MAPK14BRD4BRDT
SCHEMBL6949712 0.91 MAPK14 (0.85) MAPK14BRD4BRDT
SCHEMBL6946216 0.90 MAPK14 (0.84) MAPK14BRD4BRDT
SCHEMBL6974464 0.90 MAPK14 (1.00) MAPK14BRD4BRDT
SCHEMBL4907707 0.90 MAPK14 (1.00) MAPK14BRD4BRDT
SCHEMBL4912070 0.89 MAPK14 (1.00) MAPK14BRD4BRDT
SCHEMBL6949268 0.87 MAPK14 (0.81) MAPK14BRD4BRDT
SCHEMBL6949269 0.87 MAPK14 (0.81) MAPK14BRD4BRDT
SCHEMBL4917866 0.87 MAPK14 (1.00) MAPK14BRD4BRDT
SCHEMBL4915267 0.86 MAPK14 (0.80) 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-0900083-B1 NOVEL SUBSTITUTED IMIDAZOLE COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2003-08-20 EP disclosed
US-5977103-A Substituted imidazole compounds SMITHKLINE BEECHAM CORPORATION (US) 1999-11-02 US disclosed
US-5864036-A Substituted imidazole compounds SMITHKLINE BEECHAM CORPORATION (US) 1999-01-26 US disclosed