SCHEMBL15468552

SCHEMBL15468552

Bc1ccc(Nc2cc(=O)n(Cc3ccccc3)cc2C(=O)NOCC2CC2)c(F)c1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 15/20 0.58
MAP2K2 P36507 7/20 0.42
RAF1 P04049 1/20 0.41
PDGFRB P09619 1/20 0.41
CSNK2A2 P19784 1/20 0.41
CSNK2B P67870 1/20 0.41
CSNK2A1 P68400 1/20 0.41
CSNK2A3 Q8NEV1 1/20 0.41
AURKC Q9UQB9 1/20 0.41
CAMK2A Q9UQM7 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
P2RX3 P56373 3/20 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
SCHEMBL391989 0.90 MAP2K1 (0.72) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL14549223 0.88 MAP2K1 (0.61) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL12954658 0.82 MAP2K2 (0.48) MAP2K1MAP2K2MEN1KMT2AHTT
SCHEMBL392162 0.78 MAP2K1 (0.75) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL393825 0.77 MAP2K1 (0.73) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL392975 0.77 MAP2K1 (0.71) MAP2K1MAP2K2
SCHEMBL14549242 0.76 MAP2K1 (0.81) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL15468554 0.75 MAP2K1 (0.64) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL14549255 0.75 MAP2K1 (0.65) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL5179043 0.74 MAP2K1 (0.68) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2

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
EP-2251327-B1 HETEROCYCLIC INHIBITORS OF MEK ARRAY BIOPHARMA INC (US) 2014-02-12 EP disclosed