SCHEMBL3265182

SCHEMBL3265182

COc1cc2[nH]ncc2c(Nc2ccc(I)cc2F)c1C(N)=O

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 17/20 0.61
MAP2K2 P36507 1/20 0.45
CSF1R P07333 3/20 0.44
CA2 P00918 1/20 0.44
NUDT1 P36639 1/20 0.43

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
SCHEMBL3265187 0.85 MAP2K1 (0.55) MAP2K1MAP2K2CSF1RNUDT1
SCHEMBL16103816 0.83 MAP2K1 (0.53) MAP2K1MAP2K2CSF1R
SCHEMBL13522225 0.82 MAP2K1 (0.52) MAP2K1MAP2K2CSF1R
SCHEMBL1578880 0.80 MAP2K1 (0.51) MAP2K1MAP2K2
SCHEMBL2954977 0.80 MAP2K1 (0.69) MAP2K1MAP2K2CA2
SCHEMBL2294850 0.77 MAP2K1 (0.49) MAP2K1MAP2K2
SCHEMBL2295504 0.77 MAP2K1 (0.81) MAP2K1MAP2K2
SCHEMBL2726111 0.77 MAP2K1 (0.71) MAP2K1CA2
SCHEMBL12423788 0.77 MAP2K1 (0.51) MAP2K1MAP2K2
SCHEMBL1579837 0.74 MAP2K1 (0.70) MAP2K1MAP2K2

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