SCHEMBL5084929

SCHEMBL5084929

c1csc(-c2ccc3ccc(Nc4nccn5c(C6CC(CN7CCC7)C6)ncc45)cc3n2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 12/20 0.47
CYP3A4 P08684 7/20 0.47
INSR P06213 2/20 0.47
EGFR P00533 1/20 0.47
KDR P35968 1/20 0.47
ROCK2 O75116 1/20 0.34
PRKD3 O94806 1/20 0.34
LYN P07948 1/20 0.34
RET P07949 1/20 0.34
FGFR1 P11362 1/20 0.34
RPS6KB1 P23443 1/20 0.34
FLT4 P35916 1/20 0.34
FLT3 P36888 1/20 0.34
FRK P42685 1/20 0.34
STK3 Q13188 1/20 0.34
ROCK1 Q13464 1/20 0.34
PTK6 Q13882 1/20 0.34
ERBB4 Q15303 1/20 0.34
NTRK3 Q16288 1/20 0.34
AURKB Q96GD4 1/20 0.34

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
SCHEMBL5083358 0.88 IGF1R (0.58) IGF1RCYP3A4INSREGFRKDR
SCHEMBL5083767 0.87 IGF1R (0.46) IGF1RCYP3A4INSREGFRKDR
SCHEMBL5086104 0.87 IGF1R (0.48) IGF1RCYP3A4INSREGFRKDR
SCHEMBL5083550 0.86 IGF1R (0.40) IGF1RCYP3A4FGFR1FLT3TNK2
SCHEMBL5082157 0.78 IGF1R (0.38) IGF1RCYP3A4FLT3TNK2NPC1
SCHEMBL5080265 0.77 RAB9A (0.35) IGF1RCYP3A4FGFR1FLT3PTK6
SCHEMBL5085063 0.77 IGF1R (0.42) IGF1RCYP3A4INSREGFRKDR
SCHEMBL397155 0.75 IGF1R (0.80) IGF1RCYP3A4INSREGFRKDR
SCHEMBL5138428 0.74 IGF1R (0.47) IGF1RCYP3A4INSREGFRKDR
SCHEMBL5086596 0.74 TNK2 (0.42) IGF1RCYP3A4INSREGFRKDR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1979002-A2 COMBINATION OF IGFR INHIBITOR AND ANTI-CANCER AGENT OSI Pharmaceuticals, Inc. (US) 2008-10-15 EP disclosed
WO-2008076143-A1 COMBINATION OF IGFR INHIBITOR AND ANTI-CANCER AGENT OSI PHARMACEUTICALS, INC. (US) 2008-06-26 WO disclosed
WO-2007075554-A2 COMBINATION OF IGFR INHIBITOR AND ANTI-CANCER AGENT OSI PHARMACEUTICALS, INC. (US) 2007-07-05 WO disclosed