SCHEMBL6183047

SCHEMBL6183047

COCCOc1c(OCCCN(C)C)ccc2c(Nc3ccc(Sc4nccn4C)c(Cl)c3)c(C#N)cnc12

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 10/20 0.66
MAP2K1 Q02750 12/20 0.59
MAPK3 P27361 1/20 0.57
MAPK1 P28482 1/20 0.57
MAP3K1 Q13233 1/20 0.57
EGFR P00533 1/20 0.54
ERBB2 P04626 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
SCHEMBL6183043 0.89 IGF1R (0.79) IGF1RMAP2K1MAPK3MAPK1MAP3K1
SCHEMBL6184528 0.89 MAP2K1 (0.74) IGF1RMAP2K1MAPK3MAPK1MAP3K1
SCHEMBL6183822 0.86 IGF1R (0.76) IGF1RMAP2K1MAPK3MAPK1MAP3K1
SCHEMBL7001176 0.85 MAP2K1 (0.77) IGF1RMAP2K1MAPK3MAPK1MAP3K1
SCHEMBL6187461 0.85 IGF1R (0.78) IGF1RMAP2K1MAPK3MAPK1MAP3K1
SCHEMBL5255981 0.84 IGF1R (0.65) IGF1RMAP2K1MAPK3MAPK1MAP3K1
SCHEMBL7000398 0.84 IGF1R (0.75) IGF1RMAP2K1MAPK3MAPK1MAP3K1
SCHEMBL7001879 0.83 MAP2K1 (0.63) IGF1RMAP2K1MAPK3MAPK1MAP3K1
SCHEMBL5255721 0.83 IGF1R (0.65) IGF1RMAP2K1MAPK3MAPK1MAP3K1
SCHEMBL6998163 0.82 MAP2K1 (0.79) IGF1RMAP2K1MAPK3MAPK1MAP3K1

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