SCHEMBL30454364

SCHEMBL30454364

COc1ccc(Cl)c(Nc2c(C#N)cnc3cc(OCC4CCN(C)CC4)c(OC)cc23)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 20/20 1.00
ABL1 P00519 17/20 1.00
ABL2 P42684 14/20 1.00
BCR P11274 4/20 0.74
KDR P35968 1/20 0.70
KCNH2 Q12809 2/20 0.60
STK25 O00506 1/20 0.60
CIT O14578 1/20 0.60
RIOK3 O14730 1/20 0.60
MAP2K7 O14733 1/20 0.60
CHEK1 O14757 1/20 0.60
CASK O14936 1/20 0.60
GAK O14976 1/20 0.60
EPHB6 O15197 1/20 0.60
MAP3K13 O43283 1/20 0.60
MAP3K7 O43318 1/20 0.60
RIPK2 O43353 1/20 0.60
NUAK1 O60285 1/20 0.60
JAK2 O60674 1/20 0.60
ROCK2 O75116 1/20 0.60

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
SCHEMBL1657933 1.00 SRC (1.00) SRCABL1ABL2BCRKDR
SCHEMBL6183059 0.92 SRC (0.85) SRCABL1ABL2BCRKDR
SCHEMBL1657913 0.91 SRC (1.00) SRCABL1ABL2BCRKDR
SCHEMBL30453979 0.91 SRC (1.00) SRCABL1ABL2BCRKDR
SCHEMBL3152315 0.91 SRC (0.83) SRCABL1ABL2BCRKDR
SCHEMBL28565311 0.89 SRC (0.88) SRCABL1ABL2BCRKDR
SCHEMBL676581 0.89 SRC (1.00) SRCABL1ABL2BCRKCNH2
SCHEMBL30453888 0.89 SRC (1.00) SRCABL1ABL2BCRKCNH2
SCHEMBL1657788 0.88 SRC (1.00) SRCABL1ABL2BCRFYN
SCHEMBL30453073 0.88 SRC (1.00) SRCABL1ABL2BCRFYN

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