SCHEMBL21819860

SCHEMBL21819860

CC(C)[S+]([O-])CC1CC(=O)c2c([nH]c(-c3ccnc(N4C=C(C(N)=O)SC4)c3)c2Nc2ccccc2)C1

nearest known ligand 0.54

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ BUB1 O43683 20/20 0.54

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
SCHEMBL21819853 0.88 BUB1 (0.69) BUB1
SCHEMBL18320183 0.83 BUB1 (0.75) BUB1
SCHEMBL20212604 0.83 BUB1 (0.75) BUB1
SCHEMBL20212602 0.83 BUB1 (0.75) BUB1
SCHEMBL20506289 0.80 BUB1 (0.64) BUB1
SCHEMBL20505759 0.80 BUB1 (0.68) BUB1
SCHEMBL18320192 0.78 BUB1 (0.79) BUB1
SCHEMBL18320343 0.78 BUB1 (0.79) BUB1
SCHEMBL20226423 0.78 BUB1 (0.79) BUB1
SCHEMBL18320324 0.78 BUB1 (0.79) BUB1

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
EP-3310775-B1 3-AMINO-1,5,6,7-TETRAHYDRO-4H-INDOL-4-ONES Bayer Pharma AG (DE) 2020-04-01 — — EP claimed
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