SCHEMBL6187461

SCHEMBL6187461

COc1c(NCCCN(C)C)ccc2c(Nc3ccc(Sc4nccn4C)c(Cl)c3)c(C#N)cnc12

nearest known ligand 0.78

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 13/20 0.78
MAP2K1 Q02750 9/20 0.60
EGFR P00533 1/20 0.56
ERBB2 P04626 1/20 0.56
MAPK3 P27361 1/20 0.54
MAPK1 P28482 1/20 0.54
MAP3K1 Q13233 1/20 0.54

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
SCHEMBL6183822 0.89 IGF1R (0.76) IGF1RMAP2K1EGFRERBB2MAPK3
SCHEMBL6182651 0.88 IGF1R (1.00) IGF1RMAP2K1EGFRERBB2MAPK3
SCHEMBL6183047 0.85 IGF1R (0.66) IGF1RMAP2K1EGFRERBB2MAPK3
SCHEMBL7000398 0.84 IGF1R (0.75) IGF1RMAP2K1EGFRERBB2MAPK3
SCHEMBL5255712 0.81 IGF1R (0.68) IGF1RMAP2K1EGFRERBB2MAPK3
SCHEMBL5255981 0.81 IGF1R (0.65) IGF1RMAP2K1MAPK3MAPK1MAP3K1
SCHEMBL7001176 0.80 MAP2K1 (0.77) IGF1RMAP2K1EGFRMAPK3MAPK1
SCHEMBL7001879 0.80 MAP2K1 (0.63) IGF1RMAP2K1MAPK3MAPK1MAP3K1
SCHEMBL6181198 0.80 IGF1R (1.00) IGF1RMAP2K1EGFRERBB2MAPK3
SCHEMBL5255721 0.79 IGF1R (0.65) IGF1RMAP2K1EGFRERBB2MAPK3

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
EP-1499594-B1 PROCESS FOR THE PREPARATION OF 7-SUBSTITUTED-3-QUINOLINE AND 3-QUINOL-4-ONE CARBONITRILES WYETH CORP (US) 2005-08-17 EP claimed