SCHEMBL28469726

SCHEMBL28469726

Fc1cc(C(F)(F)F)ccc1C=Cc1nc(COc2ccc(CCCCn3ccnn3)nc2)co1

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 15/20 0.65
MINK1 Q8N4C8 1/20 0.65

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
SCHEMBL22398356 1.00 ERBB2 (0.65) ERBB2MINK1
SCHEMBL5383443 0.91 ERBB2 (0.79) ERBB2MINK1
SCHEMBL5383448 0.91 ERBB2 (0.79) ERBB2MINK1
SCHEMBL24112070 0.89 ERBB2 (0.56) ERBB2MINK1
SCHEMBL22398129 0.89 ERBB2 (0.66) ERBB2MINK1
SCHEMBL22398126 0.89 ERBB2 (0.75) ERBB2MINK1
SCHEMBL28469047 0.89 ERBB2 (0.75) ERBB2MINK1
SCHEMBL5556553 0.88 ERBB2 (0.59) ERBB2MINK1
SCHEMBL5556559 0.88 ERBB2 (0.59) ERBB2MINK1
SCHEMBL5557888 0.87 ERBB2 (0.64) ERBB2MINK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111886234-B Heterocyclic mitochondrial activity inhibitors and uses thereof 蒙特利尔大学 2023-12-15 CN disclosed
CN-111886234-A Heterocyclic mitochondrial activity inhibitors and uses thereof 蒙特利尔大学 2020-11-03 CN disclosed