SCHEMBL4073244

SCHEMBL4073244

COC(=O)[C@H]1CC[C@H](c2ncc3c(N)nc(-c4ccc5ccc(-c6ccccc6)nc5c4)cn32)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 17/20 0.51
TNK2 Q07912 2/20 0.44
CYP3A4 P08684 6/20 0.44
INSR P06213 2/20 0.41
MAPK3 P27361 2/20 0.41
MAPK1 P28482 2/20 0.41
RIPK2 O43353 1/20 0.41
ROCK2 O75116 1/20 0.41
LATS1 O95835 1/20 0.41
LCK P06239 1/20 0.41
LYN P07948 1/20 0.41
RET P07949 1/20 0.41
ABCB1 P08183 1/20 0.41
MET P08581 1/20 0.41
FGFR1 P11362 1/20 0.41
INSRR P14616 1/20 0.41
FECH P22830 1/20 0.41
MARK3 P27448 1/20 0.41
FLT4 P35916 1/20 0.41
KDR P35968 1/20 0.41

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
SCHEMBL398892 0.85 IGF1R (0.45) IGF1RTNK2CYP3A4INSRMAPK3
SCHEMBL401993 0.85 IGF1R (0.43) IGF1RTNK2CYP3A4INSRMAPK3
SCHEMBL4070273 0.83 IGF1R (0.45) IGF1RTNK2CYP3A4INSRMAPK3
SCHEMBL401241 0.82 IGF1R (0.44) IGF1RTNK2CYP3A4INSRMAPK3
SCHEMBL1683067 0.81 IGF1R (0.45) IGF1RCYP3A4INSRMAPK3MAPK1
SCHEMBL5082567 0.81 IGF1R (0.44) IGF1RTNK2FGFR1KDRNEK2
SCHEMBL18952119 0.81 IGF1R (0.61) IGF1RTNK2CYP3A4INSRMAPK3
SCHEMBL3040790 0.81 IGF1R (0.51) IGF1RTNK2CYP3A4NEK2
SCHEMBL5086076 0.81 IGF1R (0.44) IGF1RTNK2
SCHEMBL5086253 0.80 TNK2 (0.50) 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
EP-1740591-B1 6,6-BICYCLIC RING SUBSTITUTED HETEROBICYCLIC PROTEIN KINASE INHIBITORS OSI PHARM INC (US) 2009-06-17 EP disclosed