SCHEMBL18319963

SCHEMBL18319963

O=C(O)CCC=CC1CC(=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
SCHEMBL18320472 1.00 BUB1 (1.00) BUB1
SCHEMBL20212659 1.00 BUB1 (1.00) BUB1
SCHEMBL18320118 0.85 BUB1 (1.00) BUB1
SCHEMBL18320309 0.85 BUB1 (1.00) BUB1
SCHEMBL18321000 0.85 BUB1 (1.00) BUB1
SCHEMBL20212645 0.85 BUB1 (1.00) BUB1
SCHEMBL18320140 0.83 BUB1 (0.82) BUB1
SCHEMBL18319988 0.82 BUB1 (1.00) BUB1
SCHEMBL21895108 0.79 BUB1 (0.80) BUB1
SCHEMBL21895111 0.79 BUB1 (0.70) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3310775-A1 3-AMINO-1,5,6,7-TETRAHYDRO-4H-INDOL-4-ONES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-04-25 — — EP disclosed
WO-2016202755-A1 3-AMINO-1,5,6,7-TETRAHYDRO-4H-INDOL-4-ONES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-12-22 — — WO disclosed
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