SCHEMBL13522225

SCHEMBL13522225

COc1cc2[nH]ncc2c(Nc2ccc(I)cc2F)c1N=O

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 14/20 0.52
FLT1 P17948 1/20 0.43
MAP2K2 P36507 3/20 0.36
CHEK1 O14757 1/20 0.36
MAPK10 P53779 1/20 0.36
PRKAG1 P54619 1/20 0.36
ADCK1 Q86TW2 1/20 0.36
PRKAG2 Q9UGJ0 1/20 0.36
MKNK1 Q9BUB5 1/20 0.35
CSF1R P07333 2/20 0.35
RAF1 P04049 2/20 0.35
BRAF P15056 2/20 0.35

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
SCHEMBL16103816 0.85 MAP2K1 (0.53) MAP2K1FLT1MAP2K2CHEK1MAPK10
SCHEMBL3265187 0.84 MAP2K1 (0.55) MAP2K1FLT1MAP2K2MKNK1CSF1R
SCHEMBL3265182 0.82 MAP2K1 (0.61) MAP2K1MAP2K2CSF1R
SCHEMBL1578880 0.82 MAP2K1 (0.51) MAP2K1FLT1MAP2K2CHEK1MAPK10
SCHEMBL10285170 0.79 MAP2K1 (0.49) MAP2K1FLT1MAP2K2CHEK1MAPK10
SCHEMBL2294850 0.79 MAP2K1 (0.49) MAP2K1FLT1MAP2K2CHEK1MAPK10
SCHEMBL13522214 0.78 MAP2K1 (0.60) MAP2K1MAP2K2
SCHEMBL12423788 0.76 MAP2K1 (0.51) MAP2K1FLT1MAP2K2CHEK1MAPK10
SCHEMBL13522310 0.75 MAP2K1 (0.44) MAP2K1FLT1MAP2K2CHEK1MAPK10
SCHEMBL16103842 0.74 MAP2K1 (0.60) MAP2K1FLT1MAP2K2

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-2010003025-A1 BICYCLIC HETEROCYCLES AS MEK KINASE INHIBITORS GENENTECH, INC. (US) 2010-01-07 WO disclosed