SCHEMBL6955880

SCHEMBL6955880

CC(C)(C)OC(=O)N1CCC(n2cnc(-c3ccc(F)cc3)c2-c2ccnc(Nc3ccccc3)c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.54
CSNK1D P48730 8/20 0.48
CSNK1E P49674 8/20 0.48
MAPK10 P53779 3/20 0.47
MAPK8 P45983 1/20 0.47
EGFR P00533 1/20 0.46
TGFBR1 P36897 1/20 0.45
MAPK13 O15264 1/20 0.45
MAPK12 P53778 1/20 0.45
MAPK11 Q15759 1/20 0.45

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
SCHEMBL6967267 0.86 MAPK14 (0.50) MAPK14CSNK1DCSNK1ETGFBR1MAPK13
SCHEMBL6880496 0.85 MAPK14 (0.54) MAPK14CSNK1DCSNK1EEGFRTGFBR1
SCHEMBL7890787 0.84 MAPK14 (0.53) MAPK14CSNK1DCSNK1EEGFRTGFBR1
SCHEMBL4913562 0.84 MAPK14 (0.65) MAPK14CSNK1DCSNK1EEGFRTGFBR1
SCHEMBL5574428 0.82 MAPK14 (0.69) MAPK14CSNK1DMAPK13MAPK12MAPK11
SCHEMBL22730370 0.80 MAPK14 (0.61) MAPK14
SCHEMBL6950452 0.79 MAPK14 (0.71) MAPK14
SCHEMBL22730361 0.79 MAPK14 (0.71) MAPK14
SCHEMBL7884407 0.78 MAPK14 (0.68) MAPK14CSNK1DCSNK1EEGFRTGFBR1
SCHEMBL3668786 0.78 EGFR (0.57) MAPK14CSNK1DCSNK1EEGFRTGFBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1130358-C Imidazole compound and preparation method and application thereof SMITHKLINE BEECHAM CORP (US) 2003-12-10 CN disclosed
EP-1314728-A1 Pyridyl and pyrimidinyl imines as intermediates for imidazole derivatives SMITHKLINE BEECHAM CORPORATION (US) 2003-05-28 EP disclosed
EP-0831830-B1 IMIDAZOLE COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2003-03-05 EP disclosed
US-6218537-B1 Process for making pyridyl and pyrimidine substituted imidazole compounds SMITHKLINE BEECHAM CORPORATION 2001-04-17 US disclosed
US-5869660-A Process of preparing imidazole compounds SMITHKLINE BEECHAM CORPORATION (US) 1999-02-09 US disclosed
US-5739143-A Imidazole compounds and compositions SMITHKLINE BEECHAM CORPORATION (US) 1998-04-14 US disclosed
US-5658903-A Imidazole compounds, compositions and use SMITHKLINE BEECHAM CORPORATION (US) 1997-08-19 US disclosed