SCHEMBL30452827

SCHEMBL30452827

CC(Oc1nc(-c2ccc(C(=O)NC3CCN(C)CC3)cc2)cnc1N)c1c(Cl)cccc1Cl

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MET P08581 7/20 0.61
CHEK2 O96017 3/20 0.61
ATR Q13535 5/20 0.57
CSF1R P07333 1/20 0.43
JAK1 P23458 1/20 0.42
AURKA O14965 3/20 0.42
AURKB Q96GD4 3/20 0.42
MAP4K3 Q8IVH8 1/20 0.42
ACVR1 Q04771 2/20 0.42
BMPR1B O00238 1/20 0.41
BMPR1A P36894 1/20 0.41
TGFBR1 P36897 1/20 0.41
ACVRL1 P37023 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
SCHEMBL488582 1.00 MET (0.61) METCHEK2ATRCSF1RJAK1
SCHEMBL488743 0.93 ATR (0.59) METCHEK2ATRMAP4K3ACVR1
SCHEMBL30453739 0.93 ATR (0.59) METCHEK2ATRMAP4K3ACVR1
SCHEMBL30452777 0.90 MET (0.60) METCHEK2ATRMAP4K3
SCHEMBL488291 0.90 MET (0.60) METCHEK2ATRMAP4K3
SCHEMBL488073 0.88 MET (0.54) METCHEK2ATRMAP4K3
SCHEMBL30454532 0.88 MET (0.54) METCHEK2ATRMAP4K3
SCHEMBL30452481 0.85 MET (0.59) METCHEK2ATRMAP4K3
SCHEMBL487858 0.85 MET (0.59) METCHEK2ATRMAP4K3
SCHEMBL30453481 0.84 MET (0.60) METATRACVR1BMPR1BBMPR1A

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