SCHEMBL19509871

SCHEMBL19509871

FC(F)(F)CNCCc1cccc2[nH]ncc12

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AXL P30530 2/20 0.48
METTL3 Q86U44 1/20 0.41
NOS1 P29475 4/20 0.41
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
GLS O94925 1/20 0.39
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
IDO1 P14902 1/20 0.39
METAP2 P50579 1/20 0.38
TDO2 P48775 1/20 0.38
TRPV1 Q8NER1 5/20 0.37

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
SCHEMBL4686743 0.80 JAK2 (0.44) AXLNOS1JAK2JAK1GLS
SCHEMBL19469912 0.75 AXL (0.44) AXLMETTL3NOS1JAK2JAK1
SCHEMBL29416146 0.75 AXL (0.44) AXLMETTL3NOS1JAK2JAK1
SCHEMBL19469910 0.75 AXL (0.44) AXLMETTL3NOS1JAK2JAK1
SCHEMBL20117005 0.74 PARP1 (0.32)
SCHEMBL13554518 0.72 NOS1 (0.50) AXLNOS1JAK2JAK1GLS
SCHEMBL12166325 0.72 IDO1 (0.51) AXLNOS1JAK2JAK1GLS
SCHEMBL29416223 0.72 IDO1 (0.51) AXLNOS1JAK2JAK1GLS
SCHEMBL27663105 0.72 NOS1 (0.50) AXLNOS1JAK2JAK1GLS
Bromide SCHEMBL27530305 0.71 NOS1 (0.53) AXLNOS1JAK2JAK1GLS

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 6 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-2019002441-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2019-01-03 WO 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
WO-2017182493-A1 INDAZOLE DERIVATIVES FOR USE IN DOWN-REGULATION OF THE ESTROGEN RECEPTOR FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2017-10-26 WO disclosed