SCHEMBL21894612

SCHEMBL21894612

COC(C)CN(C)C(=O)CCC1(C)CC(=O)c2c([nH]c(-c3ccnc(NC(C)=O)c3)c2Nc2ccccc2)C1

nearest known ligand 0.80

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ BUB1 O43683 20/20 0.80

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
SCHEMBL20212582 0.89 BUB1 (1.00) BUB1
SCHEMBL18320339 0.89 BUB1 (1.00) BUB1
SCHEMBL18438641 0.83 BUB1 (0.84) BUB1
SCHEMBL21894402 0.82 BUB1 (0.83) BUB1
SCHEMBL20212633 0.82 BUB1 (1.00) BUB1
SCHEMBL17372040 0.81 BUB1 (1.00) BUB1
SCHEMBL18320447 0.81 BUB1 (1.00) BUB1
SCHEMBL18481851 0.80 BUB1 (0.77) BUB1
SCHEMBL18438873 0.80 BUB1 (0.82) BUB1
SCHEMBL20212637 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-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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