SCHEMBL20116085

SCHEMBL20116085

NCCc1cccc2[nH]nc(F)c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.49
TAAR1 Q96RJ0 8/20 0.44
HTR2C P28335 2/20 0.41
SLC6A2 P23975 1/20 0.40
KDR P35968 2/20 0.39
MAP2K1 Q02750 2/20 0.39
DAPK3 O43293 1/20 0.39
PRKD3 O94806 1/20 0.39
MAP4K4 O95819 1/20 0.39
PAK4 O96013 1/20 0.39
ABL1 P00519 1/20 0.39
NTRK1 P04629 1/20 0.39
LCK P06239 1/20 0.39
CSF1R P07333 1/20 0.39
RET P07949 1/20 0.39
IGF1R P08069 1/20 0.39
MET P08581 1/20 0.39
PDGFRB P09619 1/20 0.39
FGFR1 P11362 1/20 0.39
PRKACA P17612 1/20 0.39

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
SCHEMBL29416206 0.80 HTR2A (0.42) HTR2ATAAR1HTR2CSLC6A2KDR
SCHEMBL28707242 0.80 HTR2A (0.42) HTR2ATAAR1HTR2CSLC6A2KDR
SCHEMBL20089760 0.80 HTR2A (0.42) HTR2ATAAR1HTR2CSLC6A2KDR
SCHEMBL20117005 0.75 PARP1 (0.32) HTR2ASLC6A2KDRMAP2K1DAPK3
SCHEMBL10076075 0.73 KDR (0.47) KDRMAP2K1DAPK3PRKD3MAP4K4
SCHEMBL28936919 0.71 CDK8 (0.36) KDRABL1MAPK8CDK5ROCK1
SCHEMBL28936920 0.71 CDK8 (0.36) KDRABL1MAPK8CDK5ROCK1
SCHEMBL28712146 0.70 BCHE (0.34) CDK5ROCK1CLK4
SCHEMBL24455090 0.69 MAPK1 (0.51) KDRMAP2K1DAPK3PRKD3MAP4K4
SCHEMBL30723792 0.69 KDR (0.44) KDRMAP2K1DAPK3PRKD3MAP4K4

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