SCHEMBL14499786

SCHEMBL14499786

C[C@H](O)CONC(=O)c1cn2ccnc2c(F)c1Nc1ccc(Cl)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 14/20 0.42
MAP2K2 P36507 5/20 0.41
CSNK2A2 P19784 2/20 0.41
SMC2 O95347 1/20 0.41
EGFR P00533 1/20 0.41
SMC1A Q14683 1/20 0.41
AAK1 Q2M2I8 1/20 0.41
Q6ZSR9 Q6ZSR9 1/20 0.41
BMP2K Q9NSY1 1/20 0.41
RAF1 P04049 1/20 0.40
PDGFRB P09619 1/20 0.40
CSNK2B P67870 1/20 0.40
CSNK2A1 P68400 1/20 0.40
CSNK2A3 Q8NEV1 1/20 0.40
AURKC Q9UQB9 1/20 0.40
CAMK2A Q9UQM7 1/20 0.40
MAPK1 P28482 2/20 0.39
BRAF P15056 1/20 0.39
MAP2K5 Q13163 1/20 0.39
KCNH2 Q12809 1/20 0.37

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
SCHEMBL14499794 1.00 MAP2K1 (0.42) MAP2K1MAP2K2CSNK2A2SMC2EGFR
SCHEMBL14499762 0.93 MAP2K1 (0.50) MAP2K1MAP2K2MAPK1BRAFMAP2K5
SCHEMBL14499760 0.93 MAP2K1 (0.50) MAP2K1MAP2K2MAPK1BRAFMAP2K5
SCHEMBL14500089 0.92 MAP2K1 (0.51) MAP2K1MAP2K2CSNK2A2SMC2EGFR
SCHEMBL14499763 0.89 MAP2K1 (0.48) MAP2K1MAP2K2MAPK1BRAFMAP2K5
SCHEMBL15088175 0.88 MAP2K1 (0.56) MAP2K1MAP2K2CSNK2A2SMC2EGFR
SCHEMBL15088118 0.87 MAP2K1 (0.49) MAP2K1MAP2K2CSNK2A2SMC2EGFR
SCHEMBL14499785 0.86 MAP2K1 (0.49) MAP2K1MAP2K2MAPK1BRAFMAP2K5
SCHEMBL13843669 0.86 MAP2K1 (0.49) MAP2K1MAP2K2MAPK1BRAFMAP2K5
SCHEMBL14500051 0.86 MAP2K1 (0.43) MAP2K1MAP2K2CSNK2A2SMC2EGFR

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-1673339-B1 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC (US) 2013-07-03 EP disclosed
US-7230099-B2 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA, INC. (US) 2007-06-12 US disclosed