SCHEMBL13840583

SCHEMBL13840583

COC(=O)[C@H]1CC[C@H](c2ncc3c(N)nccn32)CC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 8/20 0.53
KDM4E B2RXH2 1/20 0.40
IGF1R P08069 3/20 0.38
PDE1C Q14123 3/20 0.37
BTK Q06187 1/20 0.36
PDE1A P54750 2/20 0.36
PDE1B Q01064 2/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
MTOR P42345 1/20 0.36
PIK3CG P48736 1/20 0.36
PRKDC P78527 1/20 0.36
RICTOR Q6R327 1/20 0.36
RPTOR Q8N122 1/20 0.36
MAPKAP1 Q9BPZ7 1/20 0.36
MLST8 Q9BVC4 1/20 0.36
NEK2 P51955 1/20 0.36

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
SCHEMBL397860 0.86 TNK2 (0.44) TNK2KDM4EIGF1RPDE1CPDE1A
SCHEMBL397861 0.86 TNK2 (0.44) TNK2KDM4EIGF1RPDE1CPDE1A
SCHEMBL17893109 0.79 TNK2 (0.39) TNK2KDM4EIGF1RPDE1CBTK
SCHEMBL17892473 0.79 TNK2 (0.39) TNK2KDM4EIGF1RPDE1CBTK
SCHEMBL1128672 0.78 TNK2 (0.63) TNK2IGF1RPIK3CAPIK3CBMTOR
SCHEMBL1129633 0.78 TNK2 (0.63) TNK2IGF1RPIK3CAPIK3CBMTOR
SCHEMBL1128676 0.78 TNK2 (0.63) TNK2IGF1RPIK3CAPIK3CBMTOR
SCHEMBL1129637 0.78 TNK2 (0.63) TNK2IGF1RPIK3CAPIK3CBMTOR
SCHEMBL1129441 0.78 FGFR2 (0.45) TNK2IGF1RPDE1CPDE1APDE1B
SCHEMBL19917134 0.76 PDE1C (0.47) TNK2IGF1RPDE1CPDE1APDE1B

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
US-7534797-B2 6,6-Bicyclic ring substituted heterobicyclic protein kinase inhibitors OSI PHARMACEUTICALS, INC. (US) 2009-05-19 US disclosed
US-7534797-B2 6,6-Bicyclic ring substituted heterobicyclic protein kinase inhibitors OSI PHARMACEUTICALS, INC. (US) 2009-05-19 US disclosed