SCHEMBL4070080

SCHEMBL4070080

CNC(=O)O.Nc1nccn2c(C3CCCCC3)nc(-c3ccc4ccc(-c5cccs5)nc4c3)c12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 12/20 0.65
CYP3A4 P08684 9/20 0.65
MAPK3 P27361 2/20 0.56
MAPK1 P28482 2/20 0.56
INSR P06213 2/20 0.56
KDR P35968 2/20 0.56
FGFR1 P11362 2/20 0.56
RIPK2 O43353 1/20 0.56
ROCK2 O75116 1/20 0.56
LATS1 O95835 1/20 0.56
LCK P06239 1/20 0.56
LYN P07948 1/20 0.56
RET P07949 1/20 0.56
ABCB1 P08183 1/20 0.56
MET P08581 1/20 0.56
INSRR P14616 1/20 0.56
FECH P22830 1/20 0.56
MARK3 P27448 1/20 0.56
FLT4 P35916 1/20 0.56
MAP2K2 P36507 1/20 0.56

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 SCHEMBL4069747 0.94 IGF1R (0.69) IGF1RCYP3A4MAPK3MAPK1INSR
SCHEMBL4064161 0.90 IGF1R (0.81) IGF1RCYP3A4MAPK3MAPK1INSR
SCHEMBL401246 0.90 IGF1R (0.77) IGF1RCYP3A4MAPK3MAPK1INSR
SCHEMBL398013 0.89 IGF1R (0.65) IGF1RCYP3A4MAPK3MAPK1INSR
SCHEMBL4067998 0.88 IGF1R (0.69) IGF1RCYP3A4MAPK3MAPK1INSR
SCHEMBL4065306 0.86 IGF1R (0.65) IGF1RCYP3A4INSRTNK2
SCHEMBL402472 0.86 IGF1R (0.79) IGF1RCYP3A4MAPK3MAPK1INSR
Carbamic Acid SCHEMBL4070801 0.86 IGF1R (0.57) IGF1RCYP3A4FGFR1TNK2
SCHEMBL399692 0.85 IGF1R (0.61) IGF1RCYP3A4MAPK3MAPK1INSR
Bicarbonate SCHEMBL4070194 0.84 IGF1R (0.88) IGF1RCYP3A4MAPK3MAPK1INSR

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