SCHEMBL17372131

SCHEMBL17372131

CC1(C)CC(=O)c2c([nH]c(-c3ccnc(C(F)F)c3)c2Nc2cccc(F)c2)C1.O=C1CCCc2[nH]c(-c3ccnc(C(F)F)c3)c(Nc3ccccc3)c21

nearest known ligand 0.85

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ BUB1 O43683 20/20 0.85

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
SCHEMBL17371779 0.92 BUB1 (1.00) BUB1
SCHEMBL17372101 0.90 BUB1 (1.00) BUB1
SCHEMBL17379678 0.87 BUB1 (1.00) BUB1
SCHEMBL17372386 0.84 BUB1 (1.00) BUB1
SCHEMBL17379690 0.83 BUB1 (0.86) BUB1
SCHEMBL17371979 0.82 BUB1 (1.00) BUB1
SCHEMBL17372479 0.82 BUB1 (1.00) BUB1
SCHEMBL17372063 0.81 BUB1 (1.00) BUB1
SCHEMBL17371791 0.81 BUB1 (0.67) BUB1
SCHEMBL17372276 0.79 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3157914-A1 3-AMINO-1,5,6,7-TETRAHYDRO-4H-INDOL-4-ONES Bayer Pharma Aktiengesellschaft (DE) 2017-04-26 — — EP claimed
WO-2015193339-A1 3-AMINO-1,5,6,7-TETRAHYDRO-4H-INDOL-4-ONES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-12-23 — — WO claimed
EP-3157914-A1 3-AMINO-1,5,6,7-TETRAHYDRO-4H-INDOL-4-ONES Bayer Pharma Aktiengesellschaft (DE) 2017-04-26 — — EP disclosed
WO-2015193339-A1 3-AMINO-1,5,6,7-TETRAHYDRO-4H-INDOL-4-ONES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-12-23 — — WO disclosed
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