SCHEMBL4454742

SCHEMBL4454742

CCCNC(=O)c1nc(Nc2ccccc2Cl)nc(Nc2cc(C3CC3)n[nH]2)c1[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 18/20 0.62
SIRT5 Q9NXA8 1/20 0.37
INSR P06213 1/20 0.35
MET P08581 1/20 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
SCHEMBL11342777 0.89 IGF1R (0.77) IGF1RSIRT5
SCHEMBL4454739 0.88 IGF1R (0.76) IGF1R
SCHEMBL4458408 0.87 IGF1R (0.79) IGF1R
SCHEMBL4454629 0.87 IGF1R (0.77) IGF1RSIRT5
SCHEMBL11344922 0.87 IGF1R (0.76) IGF1R
SCHEMBL15256386 0.80 IGF1R (0.70) IGF1R
SCHEMBL15580713 0.80 IGF1R (0.66) IGF1R
SCHEMBL11346191 0.80 IGF1R (0.62) IGF1RINSRMET
SCHEMBL12439769 0.80 IGF1R (0.66) IGF1RSIRT5
SCHEMBL12438520 0.80 IGF1R (0.67) IGF1R

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-2009017838-A2 COMBINATIONS OF JAK-2 INHIBITORS AND OTHER AGENTS EXELIXIS, INC. (US) 2009-02-05 WO claimed