SCHEMBL6974464

SCHEMBL6974464

O[C@H]1CC[C@H](n2cnc(-c3ccc(F)cc3)c2-c2ccnc(Oc3ccccc3)n2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 19/20 1.00
KDM4E B2RXH2 1/20 0.75
MAPK13 O15264 1/20 0.75
PRKD3 O94806 1/20 0.75
MAP4K4 O95819 1/20 0.75
EGFR P00533 1/20 0.75
RAF1 P04049 1/20 0.75
CYP1A2 P05177 1/20 0.75
LCK P06239 1/20 0.75
CYP2D6 P10635 1/20 0.75
CYP2C9 P11712 1/20 0.75
PRKCA P17252 1/20 0.75
CYP2C19 P33261 1/20 0.75
FRK P42685 1/20 0.75
MAPK9 P45984 1/20 0.75
CSNK1A1 P48729 1/20 0.75
CSNK1D P48730 1/20 0.75
MAPK12 P53778 1/20 0.75
MAPK11 Q15759 1/20 0.75
MINK1 Q8N4C8 1/20 0.75

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
SCHEMBL4907707 1.00 MAPK14 (1.00) MAPK14KDM4EMAPK13PRKD3MAP4K4
SCHEMBL6948154 0.95 MAPK14 (0.90) MAPK14BRD4BRDT
SCHEMBL6949712 0.92 MAPK14 (0.85) MAPK14BRD4BRDT
SCHEMBL6946216 0.91 MAPK14 (0.84) MAPK14MAPK13EGFRCSNK1DMAPK12
SCHEMBL6949268 0.90 MAPK14 (0.81) MAPK14BRD4BRDT
SCHEMBL6949269 0.90 MAPK14 (0.81) MAPK14BRD4BRDT
SCHEMBL4912070 0.90 MAPK14 (1.00) MAPK14BRD4BRDT
SCHEMBL6970476 0.90 MAPK14 (0.81) MAPK14BRD4BRDT
SCHEMBL4917866 0.88 MAPK14 (1.00) MAPK14BRD4BRDT
SCHEMBL173596 0.86 MAPK14 (1.00) MAPK14KDM4EMAPK13PRKD3MAP4K4

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 4 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
US-5756499-A Substituted imidazole compounds SMITHKLINE BEECHAM CORPORATION (US) 1998-05-26 US disclosed