SCHEMBL20505759

SCHEMBL20505759

CC1(C)CC(=O)c2c([nH]c(-c3ccnc(N4C=C(C(N)=O)SC4)c3)c2Nc2ccccc2)C1

nearest known ligand 0.68

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ BUB1 O43683 20/20 0.68

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
SCHEMBL20506289 0.86 BUB1 (0.64) BUB1
SCHEMBL20505851 0.84 BUB1 (0.69) BUB1
SCHEMBL20505749 0.82 BUB1 (0.71) BUB1
SCHEMBL17372061 0.81 BUB1 (1.00) BUB1
SCHEMBL17371946 0.81 BUB1 (1.00) BUB1
SCHEMBL21819853 0.81 BUB1 (0.69) BUB1
SCHEMBL20505948 0.80 BUB1 (0.66) BUB1
SCHEMBL21819860 0.80 BUB1 (0.54) BUB1
SCHEMBL17372316 0.80 BUB1 (0.80) BUB1
SCHEMBL17372250 0.80 BUB1 (1.00) 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-3157914-B1 3-AMINO-1,5,6,7-TETRAHYDRO-4H-INDOL-4-ONES Bayer Pharma AG (DE) 2018-09-26 — — EP claimed
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