SCHEMBL6180753

SCHEMBL6180753

COc1ccc2cc(-c3nc(-c4ccc(C#N)cc4)n(O)c3-c3cccc(C)n3)ccc2c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.40
MAPK14 Q16539 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
TEK Q02763 4/20 0.39
CYP1A1 P04798 1/20 0.38
CYP1B1 Q16678 1/20 0.38
ACP1 P24666 1/20 0.38
PDE10A Q9Y233 1/20 0.37
GRM5 P41594 1/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
THRB P10828 1/20 0.36

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
SCHEMBL6483937 0.85 TGFBR1 (0.40) TGFBR1MAPK14ATMTEKMAOA
SCHEMBL6178736 0.84 TGFBR1 (0.38) TGFBR1MEN1KMT2AATM
SCHEMBL6183901 0.84 KDM1A (0.40) MEN1KMT2AATM
SCHEMBL6183430 0.80 TGFBR1 (0.41) TGFBR1MAPK14MEN1KMT2AATM
SCHEMBL6178729 0.78 MEN1 (0.38) TGFBR1MAPK14MEN1KMT2AATM
SCHEMBL5138611 0.77 MAPK14 (0.51) TGFBR1MAPK14MEN1KMT2ATEK
SCHEMBL6183426 0.69 KMT2A (0.36) TGFBR1MAPK14MEN1KMT2AATM
SCHEMBL14086496 0.69 TGFBR1 (0.52) TGFBR1MAPK14
SCHEMBL3265486 0.68 CCR1 (0.54) TGFBR1
SCHEMBL4075747 0.66 MEN1 (0.46) TGFBR1MAPK14MEN1KMT2AATM

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-1268465-B1 TRIARYLIMIDAZOLE DERIVATIVES AS CYTOKINE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2005-06-01 EP disclosed
EP-1268465-A1 TRIARYLIMIDAZOLE DERIVATIVES AS CYTOKINE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-01-02 EP disclosed
WO-2001072737-A1 TRIARYLIMIDAZOLE DERIVATIVES AS CYTOKINE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-10-04 WO disclosed