SCHEMBL5083797

SCHEMBL5083797

Nc1nc(-c2cc3nc(-c4ccccc4)ccc3cc2Cl)cn2c(C3CC(O)C3)ncc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 18/20 0.38
CYP3A4 P08684 9/20 0.38
INSR P06213 5/20 0.36
MAPK3 P27361 2/20 0.36
MAPK1 P28482 2/20 0.36
KDR P35968 2/20 0.36
RIPK2 O43353 1/20 0.36
ROCK2 O75116 1/20 0.36
LATS1 O95835 1/20 0.36
LCK P06239 1/20 0.36
LYN P07948 1/20 0.36
RET P07949 1/20 0.36
ABCB1 P08183 1/20 0.36
MET P08581 1/20 0.36
FGFR1 P11362 1/20 0.36
INSRR P14616 1/20 0.36
FECH P22830 1/20 0.36
MARK3 P27448 1/20 0.36
FLT4 P35916 1/20 0.36
MAP2K2 P36507 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
SCHEMBL5085414 0.86 TNK2 (0.38) TNK2
SCHEMBL4391984 0.77 IGF1R (0.39) IGF1RCYP3A4INSRMAPK3MAPK1
SCHEMBL402214 0.77 IGF1R (0.61) IGF1RCYP3A4INSRMAPK3MAPK1
SCHEMBL5085373 0.76 IGF1R (0.43) IGF1RCYP3A4TNK2
SCHEMBL398160 0.75 IGF1R (0.60) IGF1RCYP3A4INSRTNK2
SCHEMBL5080364 0.74 IGF1R (0.36) IGF1RCYP3A4INSRMAPK3MAPK1
SCHEMBL5079025 0.74 IGF1R (0.41) IGF1RCYP3A4INSRMAPK3MAPK1
SCHEMBL5081320 0.74 TNK2 (0.44) IGF1RCYP3A4INSRKDREGFR
SCHEMBL5082616 0.74 IGF1R (0.36) IGF1RCYP3A4INSRMAPK3MAPK1
SCHEMBL5081252 0.73 TNK2 (0.42) IGF1RTNK2

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