SCHEMBL9835550

SCHEMBL9835550

c1nc2[nH]ncc2c2nocc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.39
RET P07949 1/20 0.39
PI4KA P42356 1/20 0.39
LRRK2 Q5S007 1/20 0.39
PI4K2B Q8TCG2 1/20 0.39
PI4K2A Q9BTU6 1/20 0.39
PI4KB Q9UBF8 1/20 0.39
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
ADORA2A P29274 1/20 0.37
SLC6A4 P31645 1/20 0.37
ADRA1A P35348 1/20 0.37
RAB9A P51151 1/20 0.37
BLM P54132 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PDPK1 O15530 1/20 0.36
CHEK1 O14757 1/20 0.35
AURKA O14965 1/20 0.35
CCNT1 O60563 1/20 0.33
CCNA2 P20248 1/20 0.33

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
SCHEMBL994116 0.72 ALDH1A1 (0.46) XDHLMNATSHRADORA2ASLC6A4
SCHEMBL10765282 0.66 XDH (0.40) XDHRETPI4KALRRK2PI4K2B
SCHEMBL20584461 0.64 KMT2A (0.52) LMNACDK2ALDH1A1MAPK1MKNK1
SCHEMBL11607575 0.60 XDH (0.71) XDHRETPI4KALRRK2PI4K2B
SCHEMBL21662935 0.59 PDPK1 (0.46) XDHRETPI4KALRRK2PI4K2B
SCHEMBL20176622 0.58 XDH (0.44) XDHRETPI4KALRRK2PI4K2B
SCHEMBL2045752 0.57 MAPT (0.40) RETLRRK2TSHRBLMSMN1; SMN2
SCHEMBL24802934 0.57 CCNT1 (0.42) XDHRETPI4KALRRK2PI4K2B
SCHEMBL13705860 0.57 XDH (0.52) XDHRETPI4KALRRK2PI4K2B
SCHEMBL23858513 0.57 CCNT1 (0.42) XDHRETPI4KALRRK2PI4K2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0230016-B1 6H-Isoxazolo[3,4-d]pyrazolo[3,4-b]pyridines, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1991-09-11 EP disclosed
EP-0230016-A1 6H-Isoxazolo[3,4-d]pyrazolo[3,4-b]pyridines, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1987-07-29 EP disclosed
US-4624955-A 6H-isoxazolo[3,4-d]pyrazolo[3,4-b]pyridines, method for their preparation and use as anxiolytic agents HOECHST-ROUSSEL PHARMACEUTICALS (US) 1986-11-25 US disclosed