SCHEMBL17753829

SCHEMBL17753829

CC(C)N1CCC2(CC1)CN2C(=O)c1cn(C)c(=O)c2[nH]ccc12

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 12/20 0.57
▸ CECR2 Q9BXF3 7/20 0.57
▸ TAF1 P21675 5/20 0.57
▸ BRD9 Q9H8M2 5/20 0.57
▸ ATAD2 Q6PL18 2/20 0.42
▸ JAK3 P52333 1/20 0.36

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
SCHEMBL17753824 0.89 CECR2 (0.58) BRD4CECR2TAF1BRD9ATAD2
SCHEMBL19658513 0.77 CECR2 (0.55) BRD4CECR2TAF1BRD9
SCHEMBL17753948 0.73 CECR2 (0.52) BRD4CECR2TAF1BRD9ATAD2
SCHEMBL17753954 0.73 CECR2 (1.00) BRD4CECR2TAF1BRD9
SCHEMBL17753953 0.73 CECR2 (0.81) BRD4CECR2TAF1BRD9ATAD2
SCHEMBL17753567 0.73 TAF1 (0.74) BRD4CECR2TAF1BRD9
SCHEMBL17752994 0.73 BRD4 (0.65) BRD4CECR2TAF1BRD9ATAD2
SCHEMBL17753970 0.73 BRD4 (0.67) BRD4CECR2TAF1BRD9ATAD2
SCHEMBL17753004 0.72 CECR2 (0.80) BRD4CECR2TAF1BRD9ATAD2
SCHEMBL17753001 0.71 TAF1 (0.52) BRD4CECR2TAF1BRD9ATAD2

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-2016077375-A1 BROMODOMAIN INHIBITORS AND USES THEREOF GENENTECH, INC. (US) 2016-05-19 — — WO disclosed
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