SCHEMBL19017086

SCHEMBL19017086

CC(C)CCC(=O)N1CC(=O)c2c([nH]c(-c3ccnc(NC(=O)C(C)(C)F)c3)c2Nc2ccccc2)C1

nearest known ligand 0.66

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ BUB1 O43683 20/20 0.66

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
SCHEMBL22189900 0.89 BUB1 (0.75) BUB1
SCHEMBL18986581 0.87 BUB1 (0.68) BUB1
SCHEMBL18986409 0.87 BUB1 (0.72) BUB1
SCHEMBL18986895 0.85 BUB1 (0.70) BUB1
SCHEMBL18987099 0.84 BUB1 (0.63) BUB1
SCHEMBL18986558 0.83 BUB1 (0.64) BUB1
SCHEMBL18986625 0.83 BUB1 (0.67) BUB1
SCHEMBL22189874 0.82 BUB1 (0.65) BUB1
SCHEMBL18986430 0.82 BUB1 (0.67) BUB1
SCHEMBL19017397 0.82 BUB1 (0.62) 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
WO-2017102649-A1 HETERO-1,5,6,7-TETRAHYDRO-4H-INDOL-4-ONES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-06-22 — — WO disclosed
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