SCHEMBL4070971

SCHEMBL4070971

NC[C@H]1CC[C@H](c2ncc3c(Nc4ccc5ccc(-c6ccccc6)nc5c4)nccn32)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 17/20 0.45
CYP3A4 P08684 9/20 0.45
INSR P06213 2/20 0.40
KDR P35968 2/20 0.40
EGFR P00533 1/20 0.40
TNK2 Q07912 2/20 0.39
MAPK3 P27361 2/20 0.39
MAPK1 P28482 2/20 0.39
RIPK2 O43353 1/20 0.39
ROCK2 O75116 1/20 0.39
LATS1 O95835 1/20 0.39
LCK P06239 1/20 0.39
LYN P07948 1/20 0.39
RET P07949 1/20 0.39
ABCB1 P08183 1/20 0.39
MET P08581 1/20 0.39
FGFR1 P11362 1/20 0.39
INSRR P14616 1/20 0.39
FECH P22830 1/20 0.39
MARK3 P27448 1/20 0.39

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
SCHEMBL4070968 1.00 IGF1R (0.45) IGF1RCYP3A4INSRKDREGFR
SCHEMBL5078929 0.91 IGF1R (0.35) IGF1RCYP3A4INSRKDREGFR
SCHEMBL5083250 0.86 TNK2 (0.45) IGF1RTNK2
SCHEMBL5258044 0.83 IGF1R (0.58) IGF1RCYP3A4INSRKDREGFR
SCHEMBL5079147 0.83 IGF1R (0.48) IGF1RCYP3A4INSRKDREGFR
SCHEMBL5083358 0.83 IGF1R (0.58) IGF1RCYP3A4INSRKDREGFR
SCHEMBL1566539 0.80 IGF1R (0.44) IGF1RCYP3A4INSRKDREGFR
SCHEMBL5076858 0.79 IGF1R (0.58) IGF1RCYP3A4INSRTNK2MAPK3
SCHEMBL5076854 0.79 IGF1R (0.58) IGF1RCYP3A4INSRTNK2MAPK3
SCHEMBL5082928 0.78 IGF1R (0.40) IGF1RCYP3A4KDRTNK2MAPK1

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-1740591-B1 6,6-BICYCLIC RING SUBSTITUTED HETEROBICYCLIC PROTEIN KINASE INHIBITORS OSI PHARM INC (US) 2009-06-17 EP disclosed