SCHEMBL6961441

SCHEMBL6961441

OC1CCC(n2cnc(-c3ccc(F)cc3)c2-c2ccnc(Nc3ccccc3)n2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 18/20 1.00
MAPK13 O15264 2/20 0.64
EGFR P00533 2/20 0.64
CSNK1D P48730 2/20 0.64
MAPK12 P53778 2/20 0.64
MAPK11 Q15759 2/20 0.64
KDM4E B2RXH2 1/20 0.64
PRKD3 O94806 1/20 0.64
MAP4K4 O95819 1/20 0.64
RAF1 P04049 1/20 0.64
CYP1A2 P05177 1/20 0.64
LCK P06239 1/20 0.64
CYP2D6 P10635 1/20 0.64
CYP2C9 P11712 1/20 0.64
PRKCA P17252 1/20 0.64
CYP2C19 P33261 1/20 0.64
FRK P42685 1/20 0.64
MAPK9 P45984 1/20 0.64
CSNK1A1 P48729 1/20 0.64
MINK1 Q8N4C8 1/20 0.64

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
SCHEMBL6961445 1.00 MAPK14 (1.00) MAPK14MAPK13EGFRCSNK1DMAPK12
SCHEMBL6576577 0.95 MAPK14 (0.91) MAPK14MAPK13EGFRCSNK1DMAPK12
SCHEMBL6578983 0.95 MAPK14 (0.91) MAPK14MAPK13EGFRCSNK1DMAPK12
SCHEMBL6578912 0.95 MAPK14 (0.91) MAPK14MAPK13EGFRCSNK1DMAPK12
SCHEMBL6794576 0.92 MAPK14 (0.85) MAPK14MAPK13EGFRCSNK1DMAPK12
SCHEMBL6791353 0.91 MAPK14 (0.84) MAPK14MAPK13EGFRCSNK1DMAPK12
SCHEMBL6581980 0.90 MAPK14 (1.00) MAPK14MAPK13CSNK1DMAPK12MAPK11
SCHEMBL6952550 0.90 MAPK14 (0.81) MAPK14MAPK13EGFRCSNK1DMAPK12
SCHEMBL6957344 0.89 MAPK14 (1.00) MAPK14MAPK13EGFRCSNK1DMAPK12
SCHEMBL24170876 0.86 MAPK14 (1.00) MAPK14MAPK13EGFRCSNK1DMAPK12

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 8 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 claimed
CN-1192147-A Imidazole compounds SMITHKLINE BEECHAM CORP (US) 1998-09-02 CN claimed
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
CN-1192147-A Imidazole compounds SMITHKLINE BEECHAM CORP (US) 1998-09-02 CN disclosed
US-5658903-A Imidazole compounds, compositions and use SMITHKLINE BEECHAM CORPORATION (US) 1997-08-19 US disclosed