SCHEMBL18329925

SCHEMBL18329925

CC(=O)Nc1cc(-c2[nH]c3c(c2Nc2ccccc2)C(=O)CC(CNN=N)C3)ccn1

nearest known ligand 0.82

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ BUB1 O43683 20/20 0.82

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
SCHEMBL20233999 0.90 BUB1 (1.00) BUB1
SCHEMBL20212612 0.90 BUB1 (1.00) BUB1
SCHEMBL18481892 0.89 BUB1 (1.00) BUB1
SCHEMBL17372058 0.89 BUB1 (1.00) BUB1
SCHEMBL17371929 0.88 BUB1 (1.00) BUB1
SCHEMBL18320123 0.88 BUB1 (1.00) BUB1
SCHEMBL17372130 0.88 BUB1 (1.00) BUB1
SCHEMBL18321030 0.88 BUB1 (1.00) BUB1
SCHEMBL18320306 0.85 BUB1 (1.00) BUB1
SCHEMBL20233877 0.85 BUB1 (0.88) 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
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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