SCHEMBL4584300

SCHEMBL4584300

O=C(c1ccc(F)c(F)c1Nc1ccc(I)cc1F)N1CC(O)(CC(O)C2OCCO2)C1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAP2K2 P36507 20/20 0.71
MAP2K1 Q02750 20/20 0.71
BRAF P15056 2/20 0.57
CHRM2 P08172 1/20 0.57
CHRM1 P11229 1/20 0.57
DRD1 P21728 1/20 0.57
TBXA2R P21731 1/20 0.57
SLC6A2 P23975 1/20 0.57
SLC6A4 P31645 1/20 0.57
ADRA1A P35348 1/20 0.57
OPRM1 P35372 1/20 0.57
DRD3 P35462 1/20 0.57
ACTR3 P61158 1/20 0.57
SLC6A3 Q01959 1/20 0.57
KCNH2 Q12809 1/20 0.57
MAPK1 P28482 1/20 0.49
MAP2K5 Q13163 1/20 0.49

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
SCHEMBL189265 0.87 MAP2K2 (0.80) MAP2K2MAP2K1BRAFCHRM2CHRM1
SCHEMBL29413639 0.87 MAP2K2 (0.80) MAP2K2MAP2K1BRAFCHRM2CHRM1
SCHEMBL29413431 0.84 MAP2K2 (0.68) MAP2K2MAP2K1BRAFCHRM2CHRM1
SCHEMBL1489007 0.84 MAP2K2 (0.68) MAP2K2MAP2K1BRAFCHRM2CHRM1
SCHEMBL188883 0.83 MAP2K1 (1.00) MAP2K2MAP2K1BRAFCHRM2CHRM1
SCHEMBL29413452 0.83 MAP2K1 (1.00) MAP2K2MAP2K1BRAFCHRM2CHRM1
SCHEMBL188803 0.82 MAP2K2 (0.83) MAP2K2MAP2K1BRAFCHRM2CHRM1
SCHEMBL1488818 0.82 MAP2K1 (0.86) MAP2K2MAP2K1BRAFCHRM2CHRM1
SCHEMBL30220941 0.82 MAP2K2 (0.83) MAP2K2MAP2K1BRAFCHRM2CHRM1
SCHEMBL188324 0.82 MAP2K1 (1.00) MAP2K2MAP2K1BRAFCHRM2CHRM1

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-2008124085-A2 METHODS OF USING COMBINATIONS OF MEK AND JAK-2 INHIBITORS EXELIXIS, INC. (US) 2008-10-16 WO disclosed