SCHEMBL21894618

SCHEMBL21894618

CCN(CC)C(=O)C1CC(=O)c2c([nH]c(-c3ccnc(NC(=O)[C@@H]4C[C@@H]4F)c3)c2Nc2ccccc2)C1

nearest known ligand 0.85

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ BUB1 O43683 20/20 0.85

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
SCHEMBL20234033 0.92 BUB1 (1.00) BUB1
SCHEMBL20233934 0.92 BUB1 (1.00) BUB1
SCHEMBL18320381 0.92 BUB1 (1.00) BUB1
SCHEMBL18320073 0.89 BUB1 (1.00) BUB1
SCHEMBL20233990 0.89 BUB1 (1.00) BUB1
SCHEMBL20233988 0.89 BUB1 (1.00) BUB1
SCHEMBL20234012 0.89 BUB1 (1.00) BUB1
SCHEMBL18320151 0.89 BUB1 (1.00) BUB1
SCHEMBL20233940 0.88 BUB1 (1.00) BUB1
SCHEMBL20233927 0.88 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-3310775-B1 3-AMINO-1,5,6,7-TETRAHYDRO-4H-INDOL-4-ONES Bayer Pharma AG (DE) 2020-04-01 — — EP disclosed
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