SCHEMBL30453867

SCHEMBL30453867

Nc1ncc(-c2ccc(C(=O)N3CCC(N4CCCC4)CC3)cc2)nc1OCc1cccc(F)c1C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATR Q13535 10/20 0.53
CSF1R P07333 1/20 0.47
KCNH2 Q12809 5/20 0.46
MET P08581 2/20 0.43
AXL P30530 1/20 0.42
MERTK Q12866 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL488677 1.00 ATR (0.53) ATRCSF1RKCNH2METAXL
SCHEMBL488768 0.93 ATR (0.54) ATRCSF1RMETAXLMERTK
SCHEMBL30454051 0.93 ATR (0.54) ATRCSF1RMETAXLMERTK
SCHEMBL30454874 0.87 KCNH2 (0.56) ATRKCNH2
SCHEMBL488626 0.87 KCNH2 (0.56) ATRKCNH2
SCHEMBL30454737 0.85 MET (0.57) ATRMETAXLMERTKKDM4E
SCHEMBL488031 0.85 MET (0.57) ATRMETAXLMERTKKDM4E
SCHEMBL488885 0.83 CSF1R (0.70) ATRCSF1RMET
SCHEMBL488886 0.83 CSF1R (0.70) ATRCSF1RMET
SCHEMBL30454180 0.83 CSF1R (0.70) ATRCSF1RMET

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-113181362-B Medicament for preventing and/or treating amyotrophic lateral sclerosis 国立大学法人京都大学 2023-06-13 CN disclosed