SCHEMBL4064190

SCHEMBL4064190

CNC(=O)O.Nc1nccn2c(C3CCCCC3)nc(-c3ccc4ncc(-c5ccccc5)nc4c3)c12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 10/20 0.65
CYP3A4 P08684 5/20 0.65
TNK2 Q07912 10/20 0.58
RIPK2 O43353 1/20 0.57
ROCK2 O75116 1/20 0.57
LATS1 O95835 1/20 0.57
INSR P06213 1/20 0.57
LCK P06239 1/20 0.57
LYN P07948 1/20 0.57
RET P07949 1/20 0.57
ABCB1 P08183 1/20 0.57
MET P08581 1/20 0.57
FGFR1 P11362 1/20 0.57
INSRR P14616 1/20 0.57
FECH P22830 1/20 0.57
MAPK3 P27361 1/20 0.57
MARK3 P27448 1/20 0.57
MAPK1 P28482 1/20 0.57
FLT4 P35916 1/20 0.57
KDR P35968 1/20 0.57

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
Carbamic Acid SCHEMBL4068554 0.94 IGF1R (0.69) IGF1RCYP3A4TNK2RIPK2ROCK2
SCHEMBL4064161 0.90 IGF1R (0.81) IGF1RCYP3A4TNK2RIPK2ROCK2
SCHEMBL400602 0.90 IGF1R (0.79) IGF1RCYP3A4TNK2
SCHEMBL396313 0.90 TNK2 (0.68) IGF1RCYP3A4TNK2RIPK2ROCK2
SCHEMBL5139589 0.88 IGF1R (0.73) IGF1RCYP3A4TNK2RIPK2ROCK2
SCHEMBL4067218 0.87 IGF1R (0.63) IGF1RCYP3A4TNK2RIPK2ROCK2
SCHEMBL27961600 0.87 TNK2 (0.69) IGF1RCYP3A4TNK2RIPK2ROCK2
SCHEMBL399552 0.86 IGF1R (0.81) IGF1RCYP3A4TNK2RIPK2ROCK2
SCHEMBL4067998 0.85 IGF1R (0.69) IGF1RCYP3A4TNK2RIPK2ROCK2
SCHEMBL398303 0.85 TNK2 (0.64) IGF1RCYP3A4TNK2RIPK2ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2168968-B1 6,6-bicyclic ring substituted heterobicyclic protein kinase inhibitors OSI PHARMACEUTICALS LLC (US) 2017-08-23 EP claimed
EP-1740591-B1 6,6-BICYCLIC RING SUBSTITUTED HETEROBICYCLIC PROTEIN KINASE INHIBITORS OSI PHARM INC (US) 2009-06-17 EP claimed