SCHEMBL12102091

SCHEMBL12102091

C=C(Nc1cc(C(C)(C)C)nn1C)C(C)(C)Sc1ccc(Cl)cc1F

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 15/20 0.48
▸ MAPK13 O15264 3/20 0.48
▸ MAPT P10636 2/20 0.48
▸ MAPK11 Q15759 2/20 0.48
▸ MAPK12 P53778 1/20 0.48
▸ CNR2 P34972 1/20 0.45
▸ LMNA P02545 2/20 0.44
▸ RAF1 P04049 1/20 0.35
▸ ERBB2 P04626 1/20 0.35

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
SCHEMBL1464556 0.72 CNR2 (0.43) MAPK14MAPK13MAPTMAPK11MAPK12
SCHEMBL1463606 0.70 CNR2 (0.74) MAPK14MAPK13MAPTMAPK11MAPK12
SCHEMBL66874 0.65 MAPK14 (1.00) MAPK14MAPK13MAPTMAPK11MAPK12
SCHEMBL1699062 0.62 MAPK14 (0.61) MAPK14MAPK13MAPTMAPK11MAPK12
SCHEMBL469410 0.62 CNR2 (1.00) MAPK14MAPK13MAPTMAPK11MAPK12
SCHEMBL12682612 0.61 MAPT (1.00) MAPK14MAPK13MAPTMAPK11MAPK12
SCHEMBL7112019 0.61 MAPK14 (0.63) MAPK14MAPK13MAPTMAPK11MAPK12
SCHEMBL4139014 0.61 CNR2 (0.56) MAPK14MAPK13MAPTMAPK11MAPK12
SCHEMBL13234488 0.61 KDM4E (0.71) MAPK14MAPK13MAPTMAPK11MAPK12
SCHEMBL13235035 0.61 MAPK14 (0.76) MAPK14MAPK13MAPTMAPK11MAPK12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2081905-B1 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2012-09-12 — — EP disclosed
Send feedback