SCHEMBL18320170

SCHEMBL18320170

CCNC(=O)NC[C@@H]1CC(=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
SCHEMBL20212640 1.00 BUB1 (1.00) BUB1
SCHEMBL21894288 0.90 BUB1 (0.83) BUB1
SCHEMBL20212619 0.90 BUB1 (1.00) BUB1
SCHEMBL18320313 0.90 BUB1 (0.86) BUB1
SCHEMBL20212628 0.90 BUB1 (1.00) BUB1
SCHEMBL18321142 0.89 BUB1 (1.00) BUB1
SCHEMBL20233892 0.88 BUB1 (1.00) BUB1
SCHEMBL18320299 0.88 BUB1 (1.00) BUB1
SCHEMBL20212621 0.87 BUB1 (1.00) BUB1
SCHEMBL18320238 0.87 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 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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