SCHEMBL4612536

SCHEMBL4612536

CC1(O)CN(C(=O)c2ccc(F)c(F)c2Nc2ccc(I)cc2F)C1.c1cn2[nH]n12

nearest known ligand 0.87

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAP2K2 P36507 19/20 0.87
MAP2K1 Q02750 19/20 0.87
CHRM2 P08172 1/20 0.62
CHRM1 P11229 1/20 0.62
BRAF P15056 1/20 0.62
DRD1 P21728 1/20 0.62
TBXA2R P21731 1/20 0.62
SLC6A2 P23975 1/20 0.62
SLC6A4 P31645 1/20 0.62
ADRA1A P35348 1/20 0.62
OPRM1 P35372 1/20 0.62
DRD3 P35462 1/20 0.62
ACTR3 P61158 1/20 0.62
SLC6A3 Q01959 1/20 0.62
KCNH2 Q12809 1/20 0.62
PIM1 P11309 1/20 0.48
CAMK2B Q13554 1/20 0.48

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
SCHEMBL29413659 0.93 MAP2K2 (1.00) MAP2K2MAP2K1CHRM2CHRM1BRAF
SCHEMBL188890 0.93 MAP2K2 (1.00) MAP2K2MAP2K1CHRM2CHRM1BRAF
SCHEMBL4578814 0.83 MAP2K1 (0.80) MAP2K2MAP2K1CHRM2CHRM1BRAF
SCHEMBL189091 0.83 MAP2K1 (0.80) MAP2K2MAP2K1CHRM2CHRM1BRAF
SCHEMBL30220941 0.82 MAP2K2 (0.83) MAP2K2MAP2K1CHRM2CHRM1BRAF
SCHEMBL188803 0.82 MAP2K2 (0.83) MAP2K2MAP2K1CHRM2CHRM1BRAF
SCHEMBL18968030 0.82 MAP2K1 (0.78) MAP2K2MAP2K1CHRM2CHRM1BRAF
SCHEMBL1488383 0.82 MAP2K2 (0.84) MAP2K2MAP2K1CHRM2CHRM1BRAF
SCHEMBL29413419 0.82 MAP2K2 (0.84) MAP2K2MAP2K1CHRM2CHRM1BRAF
SCHEMBL1488900 0.81 MAP2K1 (1.00) MAP2K2MAP2K1CHRM2CHRM1BRAF

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-1934174-A1 AZETIDINES AS MEK INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISEASES Exelixis, Inc. (US) 2008-06-25 EP disclosed
WO-2007044515-A1 AZETIDINES AS MEK INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISEASES EXELIXIS, INC. (US) 2007-04-19 WO disclosed