SCHEMBL19930652

SCHEMBL19930652

CCCCNc1ncc(OCC2CC2)c(-c2cn(C)c(=O)c3ccccc23)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 12/20 0.42
TYRO3 Q06418 8/20 0.42
AXL P30530 6/20 0.42
MEN1 O00255 3/20 0.41
USP2 O75604 3/20 0.41
CYP1A2 P05177 3/20 0.41
CYP3A4 P08684 3/20 0.41
CASP1 P29466 3/20 0.41
KMT2A Q03164 3/20 0.41
HIF1A Q16665 2/20 0.41
LMNA P02545 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
CASP7 P55210 2/20 0.41
ALDH1A1 P00352 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
FLT3 P36888 5/20 0.41
BRD4 O60885 4/20 0.40
GAS6 Q14393 3/20 0.40

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
SCHEMBL19930876 0.91 CYP1A2 (0.50) MEN1USP2CYP1A2CYP3A4CASP1
SCHEMBL25043226 0.89 BRD4 (0.45) MERTKTYRO3AXLFLT3BRD4
SCHEMBL29848657 0.84 BRD4 (0.49) BRD4
SCHEMBL16651909 0.84 BRD4 (0.49) BRD4
SCHEMBL16657951 0.84 BRD4 (0.42) BRD4
SCHEMBL19931265 0.84 BRD4 (0.40) MEN1USP2CYP1A2CYP3A4CASP1
SCHEMBL19931246 0.84 BRD4 (0.41) MEN1USP2CYP1A2CYP3A4CASP1
SCHEMBL16650972 0.83 BRD4 (0.47) BRD4
SCHEMBL29848802 0.83 BRD4 (0.47) BRD4
SCHEMBL19930665 0.81 BRD4 (0.46) 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