SCHEMBL20117005

SCHEMBL20117005

Fc1n[nH]c2cccc(CCNCC(F)(F)F)c12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.32
SLC6A2 P23975 2/20 0.32
HTR2A P28223 2/20 0.32
GRK3 P35626 1/20 0.31
ADRB2 P07550 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ABL1 P00519 2/20 0.31
HPGD P15428 1/20 0.31
MPO P05164 1/20 0.31
DAPK3 O43293 1/20 0.31
PRKD3 O94806 1/20 0.31
MAP4K4 O95819 1/20 0.31
PAK4 O96013 1/20 0.31
NTRK1 P04629 1/20 0.31
LCK P06239 1/20 0.31
CSF1R P07333 1/20 0.31
RET P07949 1/20 0.31
IGF1R P08069 1/20 0.31
MET P08581 1/20 0.31
PDGFRB P09619 1/20 0.31

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
SCHEMBL29416082 0.78 SIGMAR1 (0.31) HTR2AMAPK8
SCHEMBL20096148 0.78 SIGMAR1 (0.31) HTR2AMAPK8
SCHEMBL28720835 0.78 SIGMAR1 (0.31) HTR2AMAPK8
SCHEMBL20116085 0.75 HTR2A (0.49) SLC6A2HTR2AABL1MPODAPK3
SCHEMBL19509871 0.74 AXL (0.48)
SCHEMBL29416206 0.69 HTR2A (0.42) SLC6A2HTR2AABL1DAPK3PRKD3
SCHEMBL28707242 0.69 HTR2A (0.42) SLC6A2HTR2AABL1DAPK3PRKD3
SCHEMBL20089760 0.69 HTR2A (0.42) SLC6A2HTR2AABL1DAPK3PRKD3
SCHEMBL1972443 0.66 MC5R (0.68) HTR2AL3MBTL1MPOALDH1A1GLA
SCHEMBL28712146 0.66 BCHE (0.34) CDK5ROCK1CLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3640251-B1 6,7,8,9-TETRAHYDRO-3H-PYRAZOLO[4,3-F]ISOQUINOLINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2021-12-08 EP disclosed
EP-3640251-A1 6,7,8,9-TETRAHYDRO-3H-PYRAZOLO[4,3-F]ISOQUINOLINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER Astrazeneca AB (SE) 2020-04-22 EP disclosed
EP-3433256-B1 6,7,8,9-TETRAHYDRO-3H-PYRAZOLO[4,3-F]ISOQUINOLINE DERIVATIVE USEFUL IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2019-08-07 EP disclosed
WO-2018077630-A1 6,7,8,9-TETRAHYDRO-3H-PYRAZOLO[4,3-F]ISOQUINOLINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2018-05-03 WO disclosed