SCHEMBL28639666

SCHEMBL28639666

Cc1nc(N[C@@H]2CCCc3ccccc32)cc(-c2ccc(N)cc2)n1

nearest known ligand 0.80

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PFKFB3 Q16875 20/20 0.80

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
SCHEMBL21857245 0.91 PFKFB3 (0.84) PFKFB3
SCHEMBL21857650 0.91 PFKFB3 (0.83) PFKFB3
SCHEMBL28647948 0.89 PFKFB3 (0.81) PFKFB3
SCHEMBL21857698 0.89 PFKFB3 (0.78) PFKFB3
SCHEMBL21857247 0.89 PFKFB3 (1.00) PFKFB3
SCHEMBL13727073 0.89 PFKFB3 (0.81) PFKFB3
SCHEMBL21857120 0.89 PFKFB3 (0.81) PFKFB3
SCHEMBL21857595 0.88 PFKFB3 (1.00) PFKFB3
SCHEMBL28637364 0.88 PFKFB3 (0.78) PFKFB3
SCHEMBL28644721 0.87 PFKFB3 (0.77) PFKFB3

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-113396145-A PFKFB3 inhibitors and uses thereof 盖罗发现有限责任公司 2021-09-14 CN disclosed