SCHEMBL14499790

SCHEMBL14499790

CCc1cnc2c(F)c(Nc3ccc(Cl)cc3Cl)c(C(=O)NOCCO)cn12

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 19/20 0.53
MAP2K2 P36507 3/20 0.51
SMC2 O95347 1/20 0.51
EGFR P00533 1/20 0.51
CSNK2A2 P19784 1/20 0.51
SMC1A Q14683 1/20 0.51
AAK1 Q2M2I8 1/20 0.51
Q6ZSR9 Q6ZSR9 1/20 0.51
BMP2K Q9NSY1 1/20 0.51
ABCB11 O95342 1/20 0.43
NQO2 P16083 1/20 0.43
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KCNH2 Q12809 1/20 0.40

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
SCHEMBL13842034 0.90 MAP2K1 (0.56) MAP2K1MAP2K2SMC2EGFRCSNK2A2
SCHEMBL15088172 0.90 MAP2K1 (0.49) MAP2K1MAP2K2SMC2EGFRCSNK2A2
SCHEMBL13842042 0.86 MAP2K1 (0.54) MAP2K1MAP2K2ABCB11NQO2CYP2C9
SCHEMBL14500010 0.83 MAP2K1 (0.43) MAP2K1MAP2K2SMC2EGFRCSNK2A2
SCHEMBL15088175 0.83 MAP2K1 (0.56) MAP2K1MAP2K2SMC2EGFRCSNK2A2
SCHEMBL13842035 0.79 MAP2K1 (0.44) MAP2K1MAP2K2SMC2EGFRCSNK2A2
SCHEMBL13842044 0.76 MAP2K1 (0.43) MAP2K1MAP2K2ABCB11NQO2KCNH2
SCHEMBL13841993 0.76 MAP2K1 (0.48) MAP2K1MAP2K2SMC2EGFRCSNK2A2
SCHEMBL29461531 0.75 MAP2K1 (0.84) MAP2K1MAP2K2SMC2EGFRCSNK2A2
SCHEMBL569289 0.75 MAP2K1 (0.84) MAP2K1MAP2K2SMC2EGFRCSNK2A2

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