SCHEMBL30453073

SCHEMBL30453073

COc1cc2c(Nc3ccc(Cl)cc3Cl)c(C#N)cnc2cc1OCC1CCN(C)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SRC P12931 20/20 1.00
ABL1 P00519 12/20 1.00
ABL2 P42684 11/20 1.00
FYN P06241 3/20 0.76
BCR P11274 1/20 0.74

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
SCHEMBL1657788 1.00 SRC (1.00) SRCABL1ABL2FYNBCR
SCHEMBL30453888 0.90 SRC (1.00) SRCABL1ABL2FYNBCR
SCHEMBL676581 0.90 SRC (1.00) SRCABL1ABL2FYNBCR
SCHEMBL30454364 0.88 SRC (1.00) SRCABL1ABL2FYNBCR
SCHEMBL1657933 0.88 SRC (1.00) SRCABL1ABL2FYNBCR
SCHEMBL30453282 0.87 SRC (1.00) SRCABL1ABL2FYNBCR
SCHEMBL1657798 0.87 SRC (1.00) SRCABL1ABL2FYNBCR
SCHEMBL934766 0.86 SRC (1.00) SRCABL1ABL2FYNBCR
SCHEMBL677670 0.86 SRC (0.95) SRCABL1ABL2FYNBCR
SCHEMBL30453257 0.86 SRC (0.95) SRCABL1ABL2FYNBCR

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