SCHEMBL30951595

SCHEMBL30951595

c1ccc2c(c1)ncc1c[nH]nc12

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.52
GPR3 P46089 1/20 0.52
ADORA3 P0DMS8 1/20 0.45
TOP2A P11388 1/20 0.41
PDPK1 O15530 1/20 0.41
TLR7 Q9NYK1 2/20 0.40
PI4KA P42356 1/20 0.37
PI4K2B Q8TCG2 1/20 0.37
PI4K2A Q9BTU6 1/20 0.37
PI4KB Q9UBF8 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
DUSP10 Q9Y6W6 1/20 0.37
CYP1A2 P05177 1/20 0.37
PDGFRB P09619 1/20 0.36
PDGFRA P16234 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
SCHEMBL1727666 1.00 KDM4E (0.52) KDM4EGPR3ADORA3TOP2APDPK1
SCHEMBL16114858 0.79 EGFR (0.37) KDM4EGPR3ADORA3
SCHEMBL5741090 0.78 KDM4E (0.52) KDM4EGPR3ADORA3TOP2APDPK1
SCHEMBL30549447 0.77 PARP1 (0.42) KDM4EGPR3PDPK1CYP1A2
SCHEMBL4900470 0.76 KDM4E (0.47) KDM4EGPR3PDGFRBPDGFRA
SCHEMBL10667809 0.76 LMNA (0.59) KDM4ECYP1A2
SCHEMBL4932780 0.75 LMNA (0.40) KDM4E
Iodide SCHEMBL10698948 0.75 LMNA (0.58) KDM4ECYP1A2
Bromide SCHEMBL10699147 0.75 LMNA (0.58) KDM4ECYP1A2
SCHEMBL253096 0.73 GPR3 (0.50) KDM4EGPR3TOP2APDPK1PI4KA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118076605-A Substituted 1H-pyrazolo [4,3-c ] quinolines, methods of preparation and uses thereof 洛蒙治疗公司 2024-05-24 CN disclosed