SCHEMBL21819846

SCHEMBL21819846

CNCCC(=O)NC1CC(=O)c2c([nH]c(-c3ccncc3)c2Nc2ccccc2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ BUB1 O43683 20/20 1.00

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
Trifluoroacetic Acid SCHEMBL18320271 0.95 BUB1 (0.91) BUB1
SCHEMBL20212595 0.90 BUB1 (0.81) BUB1
SCHEMBL18320342 0.87 BUB1 (0.83) BUB1
SCHEMBL20212642 0.87 BUB1 (1.00) BUB1
SCHEMBL18321004 0.87 BUB1 (1.00) BUB1
SCHEMBL20212648 0.86 BUB1 (1.00) BUB1
SCHEMBL18320186 0.86 BUB1 (0.85) BUB1
SCHEMBL18321284 0.86 BUB1 (1.00) BUB1
SCHEMBL20212594 0.86 BUB1 (1.00) BUB1
SCHEMBL18320266 0.86 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 claimed
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