SCHEMBL5083975

SCHEMBL5083975

COCCOC1CC(c2nc(-c3ccc4c(C)cc(-c5ccccc5)nc4c3)c3cnccn23)C1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 17/20 0.43
CYP3A4 P08684 6/20 0.39
EGFR P00533 1/20 0.38
INSR P06213 1/20 0.38
KDR P35968 1/20 0.38
BTK Q06187 2/20 0.37
MAPK3 P27361 1/20 0.37
MAPK1 P28482 1/20 0.37
MAPK6 Q16659 1/20 0.37
KIT P10721 1/20 0.36

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
SCHEMBL400353 0.84 IGF1R (0.61) IGF1RCYP3A4EGFRINSRKDR
SCHEMBL5139332 0.82 IGF1R (0.57) IGF1RCYP3A4EGFRINSRKDR
SCHEMBL5082145 0.80 IGF1R (0.39) IGF1RCYP3A4EGFRINSRKDR
SCHEMBL5081943 0.79 IGF1R (0.35) IGF1RCYP3A4KIT
SCHEMBL5313007 0.76 IGF1R (0.45) IGF1RCYP3A4BTK
SCHEMBL5139317 0.75 IGF1R (0.51) IGF1RCYP3A4EGFRINSRKDR
SCHEMBL400937 0.74 IGF1R (0.71) IGF1RCYP3A4EGFRINSRKDR
SCHEMBL19264006 0.73 IGF1R (0.54) IGF1RCYP3A4EGFRINSRKDR
SCHEMBL3909073 0.73 IGF1R (0.55) IGF1RCYP3A4EGFRINSRKDR
SCHEMBL19264009 0.72 IGF1R (0.53) IGF1RCYP3A4EGFRINSRKDR

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-2008076143-A1 COMBINATION OF IGFR INHIBITOR AND ANTI-CANCER AGENT OSI PHARMACEUTICALS, INC. (US) 2008-06-26 WO disclosed