SCHEMBL23073207

SCHEMBL23073207

CSNc1nc(-c2cc(C)c(=O)n(C)c2)cc2c1c(C)nn2Cc1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 17/20 0.42
PKM P14618 1/20 0.41
PKLR P30613 1/20 0.41

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
SCHEMBL18164463 0.87 BRD4 (0.43) BRD4PKMPKLR
SCHEMBL23073145 0.81 BRD4 (0.47) BRD4
SCHEMBL23072963 0.81 BRD4 (0.42) BRD4
SCHEMBL18164485 0.80 BRD4 (0.43) BRD4
SCHEMBL18164344 0.79 BRD4 (0.50) BRD4
SCHEMBL18164266 0.77 BRD4 (0.43) BRD4
SCHEMBL23072972 0.76 BRD4 (0.45) BRD4
SCHEMBL18164276 0.74 BRD4 (0.47) BRD4PKMPKLR
SCHEMBL23073066 0.74 BRD4 (0.49) BRD4PKMPKLR
SCHEMBL18164326 0.72 CREBBP (0.55) BRD4

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-3283077-B1 BROMODOMAIN INHIBITORS CELGENE QUANTICEL RES INC (US) 2021-03-10 EP disclosed