SCHEMBL2034580

SCHEMBL2034580

CC(=O)c1n[nH]c2ccc(C3C(C)=C(C)NC(C)=C3C)cc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 4/20 0.38
MAPK1 P28482 3/20 0.38
MAPKAPK3 Q16644 2/20 0.38
MAPK6 Q16659 2/20 0.38
MAPKAPK2 P49137 1/20 0.38
MAPKAPK5 Q8IW41 1/20 0.38
PRKAG1 P54619 2/20 0.37
PRKAA1 Q13131 2/20 0.37
PRKAB1 Q9Y478 2/20 0.37
MET P08581 2/20 0.37
RPS6KA3 P51812 1/20 0.37
FLT3 P36888 2/20 0.36
MAP4K1 Q92918 1/20 0.36
PRKAB2 O43741 1/20 0.35
PRKAA2 P54646 1/20 0.35
PRKAG3 Q9UGI9 1/20 0.35
PRKAG2 Q9UGJ0 1/20 0.35
CTNNB1 P35222 1/20 0.35
WNT3A P56704 1/20 0.35
KDM4E B2RXH2 2/20 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
SCHEMBL2008387 0.84 MET (0.58) MAPK1METRPS6KA3KDM4EMAPT
SCHEMBL18967793 0.78 MAP2K4 (0.54) MAP2K4MAPK1MAPKAPK3MAPK6MAPKAPK2
SCHEMBL2035768 0.78 MET (0.40) MAP2K4MAPK1MAPKAPK3MAPK6MAPKAPK2
SCHEMBL2034292 0.77 MET (0.38) MAP2K4MAPK1MAPKAPK3MAPK6MAPKAPK2
SCHEMBL2010519 0.74 MET (0.58) MAPK1PRKAG1PRKAA1PRKAB1MET
SCHEMBL2012517 0.72 MET (0.55) MAPK1METRPS6KA3FLT3KDM4E
SCHEMBL4436577 0.72 MET (0.55) MAPK1METRPS6KA3KDM4ESTAT3
SCHEMBL2008675 0.72 MET (0.55) MAPK1METRPS6KA3KDM4EMAPT
SCHEMBL9436096 0.71 PDPK1 (0.59) PRKAG1PRKAA1PRKAB1FLT3PRKAB2
SCHEMBL17324736 0.71 ROCK1 (0.47) MAP2K4PRKAG1PRKAA1PRKAB1PRKAB2

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
WO-2011067189-A2 CMET INHIBITORS FOR TREATING ENDOMETRIOSIS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-06-09 WO claimed