SCHEMBL30453413

SCHEMBL30453413

CC(Oc1nc(-c2ccc(C(=O)N3CC[C@@H](N)C3)cc2)cnc1N)c1c(Cl)cccc1Cl

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MET P08581 6/20 0.56
CHEK2 O96017 1/20 0.56
KCNH2 Q12809 1/20 0.53
CSF1R P07333 1/20 0.47
ATR Q13535 9/20 0.45
MAP4K3 Q8IVH8 1/20 0.42
MKNK1 Q9BUB5 2/20 0.41
MKNK2 Q9HBH9 2/20 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
SCHEMBL488517 1.00 MET (0.56) METCHEK2KCNH2CSF1RATR
SCHEMBL488516 1.00 MET (0.56) METCHEK2KCNH2CSF1RATR
SCHEMBL10216384 1.00 MET (0.56) METCHEK2KCNH2CSF1RATR
Hydrochloric Acid SCHEMBL30452583 0.99 MET (0.57) METCHEK2KCNH2CSF1RATR
Hydrochloric Acid SCHEMBL488128 0.99 MET (0.57) METCHEK2KCNH2CSF1RATR
Hydrochloric Acid SCHEMBL488130 0.99 MET (0.57) METCHEK2KCNH2CSF1RATR
Hydrochloric Acid SCHEMBL488127 0.98 MET (0.55) METCHEK2KCNH2CSF1RATR
SCHEMBL488710 0.93 MET (0.50) METCHEK2KCNH2CSF1RATR
SCHEMBL30453644 0.93 MET (0.50) METCHEK2KCNH2CSF1RATR
SCHEMBL488713 0.93 MET (0.50) METCHEK2KCNH2CSF1RATR

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