SCHEMBL17870834

SCHEMBL17870834

CC(C)(C)OC(=O)CNCCn1c(=O)c(Br)cn(CC(=O)O)c1=O

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 1/20 0.36
ADORA2B P29275 1/20 0.32

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
SCHEMBL19873712 0.85 CDK9 (0.31) CDK9ADORA2B
SCHEMBL21900253 0.84 CDK9 (0.37) CDK9
SCHEMBL17870720 0.77 GNRHR (0.41)
SCHEMBL28653804 0.77 DRD2 (0.38) CDK9
SCHEMBL17870836 0.77 CDK9 (0.34) CDK9ADORA2B
SCHEMBL17870817 0.77 CDK9 (0.41) CDK9ADORA2B
SCHEMBL17870821 0.74 CDK9 (0.42) CDK9ADORA2B
SCHEMBL17870758 0.74 ALDH1A1 (0.41) CDK9ADORA2B
SCHEMBL17870770 0.72 CDK9 (0.41) CDK9ADORA2B
SCHEMBL21900263 0.71 CDK9 (0.44) CDK9ADORA2B

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3708566-B1 NOVEL HETEROCYCLIC COMPOUNDS AND THE USE THEREOF IN MEDICINE AND IN COSMETICS GALDERMA RES & DEV (FR) 2023-02-08 EP disclosed
EP-3708566-A1 NOVEL HETEROCYCLIC COMPOUNDS AND THE USE THEREOF IN MEDICINE AND IN COSMETICS Galderma Research & Development (FR) 2020-09-16 EP disclosed
EP-3237403-B1 NOVEL HETEROCYCLIC COMPOUNDS AND THE USE THEREOF IN MEDICINE AND IN COSMETICS GALDERMA RES & DEV (FR) 2020-05-06 EP disclosed
EP-3237403-A1 NOVEL HETEROCYCLIC COMPOUNDS AND THE USE THEREOF IN MEDICINE AND IN COSMETICS Galderma Research & Development (FR) 2017-11-01 EP disclosed
WO-2016102882-A1 NOVEL HETEROCYCLIC COMPOUNDS AND THE USE THEREOF IN MEDICINE AND IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2016-06-30 WO disclosed