SCHEMBL3397215

SCHEMBL3397215

CC(C)CC(CO)n1cnc2ncc(Cl)c(-c3ccc(F)cc3)c21

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 15/20 0.36
MAPK13 O15264 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK11 Q15759 1/20 0.33
MAPK14 Q16539 1/20 0.33
GCGR P47871 1/20 0.33
TGFBR2 P37173 2/20 0.33
MET P08581 1/20 0.32

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
SCHEMBL2302270 0.81 GCGR (0.33) MAPK14GCGRMET
SCHEMBL2300003 0.81 GCGR (0.33) MAPK14GCGRMET
SCHEMBL2356663 0.73 MET (0.34) TGFBR1MAPK13MAPK12MAPK11MAPK14
SCHEMBL2298510 0.73 MET (0.34) TGFBR1MAPK14GCGRMET
SCHEMBL2301072 0.73 TGFBR1 (0.34) TGFBR1MAPK14MET
SCHEMBL2299259 0.72 TGFBR1 (0.34) TGFBR1GCGRTGFBR2MET
SCHEMBL16503263 0.72 TGFBR1 (0.34) TGFBR1GCGRTGFBR2MET
SCHEMBL2298547 0.71 GCGR (0.34) TGFBR1GCGRMET
SCHEMBL2297839 0.70 ACLY (0.37) MAPK14GCGRMET
SCHEMBL2301664 0.68 TGFBR1 (0.35) TGFBR1GCGRMET

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-2244711-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Incorporated (US) 2010-11-03 EP claimed
WO-2009099594-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED (US) 2009-08-13 WO claimed