SCHEMBL4065357

SCHEMBL4065357

Nc1ncnn2c(C3CC(CN4CCC4)C3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3Cl)c12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 12/20 0.57
INSR P06213 8/20 0.57
EGFR P00533 1/20 0.54
CYP3A4 P08684 1/20 0.54
KDR P35968 1/20 0.54
TNK2 Q07912 8/20 0.46
ROCK2 O75116 1/20 0.44
PRKD3 O94806 1/20 0.44
LYN P07948 1/20 0.44
RET P07949 1/20 0.44
FGFR1 P11362 1/20 0.44
RPS6KB1 P23443 1/20 0.44
FLT4 P35916 1/20 0.44
FLT3 P36888 1/20 0.44
FRK P42685 1/20 0.44
STK3 Q13188 1/20 0.44
ROCK1 Q13464 1/20 0.44
PTK6 Q13882 1/20 0.44
ERBB4 Q15303 1/20 0.44
NTRK3 Q16288 1/20 0.44

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
SCHEMBL399838 0.86 IGF1R (0.58) IGF1RINSREGFRCYP3A4KDR
SCHEMBL4067704 0.86 IGF1R (0.62) IGF1RINSRTNK2
SCHEMBL399619 0.83 IGF1R (0.74) IGF1RINSREGFRCYP3A4KDR
SCHEMBL400468 0.77 IGF1R (0.77) IGF1RINSRTNK2
SCHEMBL3303492 0.75 IGF1R (0.73) IGF1RINSREGFRKDRTNK2
SCHEMBL402493 0.75 IGF1R (0.64) IGF1RINSREGFRCYP3A4KDR
SCHEMBL4071569 0.74 IGF1R (0.47) IGF1RINSRTNK2
SCHEMBL402423 0.73 IGF1R (0.79) IGF1RINSREGFRCYP3A4KDR
SCHEMBL3294653 0.73 IGF1R (0.76) IGF1RINSREGFRKDRTNK2
SCHEMBL401974 0.72 IGF1R (0.59) IGF1RINSREGFRCYP3A4KDR

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 claimed