SCHEMBL19930642

SCHEMBL19930642

CSc1ccc(OCC2CC2)c(C2=CN(C)CC(F)=C2)c1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 14/20 0.38
TLR9 Q9NR96 1/20 0.32
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
PDE10A Q9Y233 1/20 0.32
HTR2A P28223 2/20 0.32
HTR2C P28335 2/20 0.32
HTR2B P41595 2/20 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
SCHEMBL19931012 0.76 BRD4 (0.37) BRD4
SCHEMBL25043210 0.71 BRD4 (0.70) BRD4
SCHEMBL19931105 0.70 BRD4 (0.35) BRD4PDE10A
SCHEMBL19930988 0.70 PDE4B (0.30)
SCHEMBL20118620 0.69 BRD4 (0.37) BRD4PDE10AHTR2AHTR2CHTR2B
SCHEMBL21915864 0.69 BRD4 (0.68) BRD4
SCHEMBL19931061 0.68 BRD4 (0.47) BRD4
SCHEMBL25043121 0.68 BRD4 (0.34) BRD4
SCHEMBL19931095 0.68 RIPK1 (0.38) HTR2AHTR2CHTR2B
SCHEMBL19930879 0.68 PTGER1 (0.34) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3640241-A1 BROMODOMAIN INHIBITORS Celgene Quanticel Research, Inc. (US) 2020-04-22 EP disclosed
EP-3290407-A1 BROMODOMAIN INHIBITORS Celgene Quanticel Research, Inc (US) 2018-03-07 EP disclosed