SCHEMBL3265187

SCHEMBL3265187

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

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 12/20 0.55
FLT1 P17948 1/20 0.45
MKNK1 Q9BUB5 1/20 0.39
CSF1R P07333 3/20 0.37
MAP2K2 P36507 2/20 0.37
RAF1 P04049 2/20 0.37
BRAF P15056 2/20 0.37
CYP1A2 P05177 1/20 0.36
METAP2 P50579 1/20 0.36
NUDT1 P36639 1/20 0.36

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 0.88 MAP2K1 (0.53) MAP2K1FLT1MKNK1CSF1RMAP2K2
SCHEMBL3265182 0.85 MAP2K1 (0.61) MAP2K1CSF1RMAP2K2NUDT1
SCHEMBL13522225 0.84 MAP2K1 (0.52) MAP2K1FLT1MKNK1CSF1RMAP2K2
SCHEMBL1578880 0.83 MAP2K1 (0.51) MAP2K1FLT1MAP2K2
SCHEMBL2294850 0.80 MAP2K1 (0.49) MAP2K1FLT1MKNK1MAP2K2BRAF
SCHEMBL16070018 0.79 MAP2K1 (0.60) MAP2K1FLT1MAP2K2
SCHEMBL345623 0.78 MAP2K1 (0.52) MAP2K1FLT1MAP2K2
SCHEMBL16103842 0.77 MAP2K1 (0.60) MAP2K1FLT1MAP2K2
SCHEMBL12423788 0.77 MAP2K1 (0.51) MAP2K1FLT1MAP2K2METAP2
SCHEMBL2295504 0.75 MAP2K1 (0.81) MAP2K1MAP2K2BRAF

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
US-8841462-B2 Bicyclic heterocycles as MEK kinase inhibitors GENENTECH, INC. 2014-09-23 US disclosed
WO-2010003025-A1 BICYCLIC HETEROCYCLES AS MEK KINASE INHIBITORS GENENTECH, INC. (US) 2010-01-07 WO disclosed