SCHEMBL5197144

SCHEMBL5197144

CCn1c(-c2ccc(C)c(C)c2C)nc(-c2ccncc2)c1-c1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TEK Q02763 2/20 0.41
▸ MAPK14 Q16539 6/20 0.38
▸ MAPK13 O15264 5/20 0.38
▸ MAPK12 P53778 5/20 0.38
▸ MAPK11 Q15759 5/20 0.38
▸ OPRL1 P41146 1/20 0.37
▸ FABP4 P15090 2/20 0.36
▸ FABP5 Q01469 1/20 0.36
▸ GCGR P47871 7/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ GFER P55789 1/20 0.34
▸ APOBEC3G Q9HC16 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ CDC7 O00311 1/20 0.34
▸ DBF4 Q9UBU7 1/20 0.34
▸ LSS P48449 1/20 0.34
▸ ALOX5 P09917 1/20 0.33

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
SCHEMBL5200226 0.85 FABP4 (0.43) TEKMAPK14MAPK13MAPK12MAPK11
SCHEMBL5198855 0.82 TEK (0.44) TEKMAPK14MAPK13MAPK12MAPK11
SCHEMBL5198874 0.81 TEK (0.42) TEKMAPK14MAPK13MAPK12MAPK11
SCHEMBL5198712 0.81 TEK (0.48) TEKMAPK14MAPK13MAPK12MAPK11
Methyl Alcohol SCHEMBL27727314 0.81 FABP4 (0.53) TEKMAPK14MAPK13MAPK12MAPK11
SCHEMBL5197690 0.81 MAPK14 (0.44) TEKMAPK14MAPK13MAPK12MAPK11
SCHEMBL5197084 0.80 TEK (0.46) TEKMAPK14MAPK13MAPK12MAPK11
SCHEMBL5194034 0.79 TEK (0.42) TEKMAPK14MAPK13MAPK12MAPK11
SCHEMBL5194709 0.78 TEK (0.39) TEKMAPK14MAPK13MAPK12MAPK11
SCHEMBL5196849 0.78 TEK (0.40) TEKMAPK14MAPK13MAPK12MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1846389-A1 IMIDAZOLE DERIVATIVES F. Hoffmann-Roche AG (CH) 2007-10-24 — — EP claimed
WO-2006082002-A1 IMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-08-10 — — WO claimed
Send feedback