SCHEMBL21819864

SCHEMBL21819864

C[C@@]1(C(=O)N2CCCC2)CC(=O)c2c([nH]c(-c3ccnc(NC(=O)[C@@H]4C[C@@H]4F)c3)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
SCHEMBL18320975 1.00 BUB1 (1.00) BUB1
SCHEMBL21819869 0.99 BUB1 (1.00) BUB1
SCHEMBL18320948 0.99 BUB1 (1.00) BUB1
SCHEMBL20212644 0.91 BUB1 (0.87) BUB1
SCHEMBL18320089 0.91 BUB1 (0.87) BUB1
SCHEMBL21819859 0.90 BUB1 (1.00) BUB1
SCHEMBL20212578 0.90 BUB1 (1.00) BUB1
SCHEMBL17372545 0.89 BUB1 (1.00) BUB1
SCHEMBL17372547 0.89 BUB1 (1.00) BUB1
SCHEMBL17372542 0.89 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
Send feedback