SCHEMBL19930876

SCHEMBL19930876

CCNc1ncc(OCC2CC2)c(-c2cn(C)c(=O)c3ccccc23)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 10/20 0.50
CASP1 P29466 10/20 0.50
USP2 O75604 9/20 0.50
CASP7 P55210 9/20 0.50
MEN1 O00255 8/20 0.50
KMT2A Q03164 8/20 0.50
CYP3A4 P08684 7/20 0.50
ALDH1A1 P00352 7/20 0.50
LMNA P02545 5/20 0.50
HIF1A Q16665 5/20 0.50
CYP2C9 P11712 5/20 0.50
CYP2D6 P10635 4/20 0.50
HSD17B10 Q99714 4/20 0.50
ALOX15 P16050 1/20 0.50
MAPK1 P28482 3/20 0.47
CLK4 Q9HAZ1 2/20 0.47
TSHR P16473 1/20 0.45
BRCA1 P38398 1/20 0.45
HBB P68871 2/20 0.45
CYP2C19 P33261 1/20 0.42

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
SCHEMBL19930652 0.91 MERTK (0.42) CYP1A2CASP1USP2CASP7MEN1
SCHEMBL29848657 0.88 BRD4 (0.49) BRD4
SCHEMBL16651909 0.88 BRD4 (0.49) BRD4
SCHEMBL19931265 0.88 BRD4 (0.40) CYP1A2CASP1USP2CASP7MEN1
SCHEMBL19931246 0.87 BRD4 (0.41) CYP1A2CASP1USP2CASP7MEN1
SCHEMBL16650972 0.87 BRD4 (0.47) BRD4
SCHEMBL29848802 0.87 BRD4 (0.47) BRD4
SCHEMBL16657951 0.86 BRD4 (0.42) BRD4
SCHEMBL19930665 0.84 BRD4 (0.46) BRD4
SCHEMBL29848937 0.81 BRD4 (0.51) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4134364-A2 BROMODOMAIN INHIBITORS Celgene Quanticel Research, Inc. (US) 2023-02-15 EP disclosed
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