SCHEMBL21895108

SCHEMBL21895108

C=C=CC1CC(=O)c2c([nH]c(-c3ccncc3)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
SCHEMBL18319988 0.89 BUB1 (1.00) BUB1
SCHEMBL18320140 0.88 BUB1 (0.82) BUB1
SCHEMBL18321144 0.83 BUB1 (0.78) BUB1
SCHEMBL21895111 0.82 BUB1 (0.70) BUB1
SCHEMBL20470448 0.82 BUB1 (0.81) BUB1
SCHEMBL17372037 0.82 BUB1 (1.00) BUB1
SCHEMBL21819855 0.81 BUB1 (1.00) BUB1
SCHEMBL18320167 0.81 BUB1 (1.00) BUB1
Hydrochloric Acid SCHEMBL18319964 0.80 BUB1 (0.98) BUB1
Hydrochloric Acid SCHEMBL18320090 0.80 BUB1 (0.98) 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
Send feedback