SCHEMBL14161981

SCHEMBL14161981

CN(C)CCOc1cc(Nc2cc(C3CC3)n[nH]2)nc(NCC2CC(c3ccccc3)=NO2)n1

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 18/20 0.53
HTR6 P50406 1/20 0.39

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
SCHEMBL12439783 0.92 IGF1R (0.51) IGF1R
SCHEMBL14050386 0.88 IGF1R (0.49) IGF1RHTR6
SCHEMBL4570504 0.81 IGF1R (0.78) IGF1R
SCHEMBL12438056 0.80 IGF1R (0.69) IGF1R
SCHEMBL12439403 0.79 IGF1R (0.49) IGF1RHTR6
SCHEMBL12439839 0.77 IGF1R (0.53) IGF1R
SCHEMBL14161970 0.77 IGF1R (0.48) IGF1R
SCHEMBL14050384 0.76 IGF1R (0.69) IGF1R
SCHEMBL4466156 0.75 IGF1R (0.75) IGF1R
SCHEMBL15256310 0.74 IGF1R (0.50) IGF1RHTR6

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-2008076415-A1 METHODS OF USING MEK INHIBITORS EXELIXIS, INC. (US) 2008-06-26 WO disclosed