SCHEMBL30656146

SCHEMBL30656146

CCN(CC)c1nc(N)c(C#N)cc1C#N

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 13/20 0.52
ALDH1A1 P00352 9/20 0.52
HSD17B10 Q99714 6/20 0.50
TDP1 Q9NUW8 2/20 0.50
MAPK1 P28482 2/20 0.50
CASP1 P29466 2/20 0.50
CLK1 P49759 1/20 0.50
CASP7 P55210 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
LMNA P02545 3/20 0.43
HTT P42858 2/20 0.43
MAPT P10636 6/20 0.42
HPGD P15428 5/20 0.42
TSHR P16473 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GAA P10253 1/20 0.41
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
NPSR1 Q6W5P4 3/20 0.40
PGK1 P00558 1/20 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
SCHEMBL30656347 0.80 GAA (0.48) KDM4EALDH1A1HSD17B10TDP1MAPK1
SCHEMBL30656079 0.76 KDM4E (0.47) KDM4EALDH1A1HSD17B10LMNAHTT
SCHEMBL27883168 0.74 KDM4E (0.57) KDM4EALDH1A1HSD17B10LMNAHTT
SCHEMBL12842048 0.73 KDM4E (0.46) KDM4EALDH1A1HSD17B10MAPK1L3MBTL1
SCHEMBL15831842 0.70 KDM4E (0.50) KDM4EALDH1A1HSD17B10TDP1MAPK1
SCHEMBL810713 0.70 KDM4E (0.53) KDM4EALDH1A1HSD17B10LMNAHTT
SCHEMBL9377841 0.69 ALDH1A1 (0.50) KDM4EALDH1A1HSD17B10TDP1MAPK1
SCHEMBL30656367 0.69 KDM4E (0.49) KDM4EALDH1A1HSD17B10TDP1L3MBTL1
SCHEMBL4764036 0.68 CSNK1A1 (0.50) KDM4EALDH1A1HSD17B10TDP1MAPK1
SCHEMBL9640682 0.67 TSHR (0.57) KDM4EALDH1A1HSD17B10TDP1MAPK1

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-4447962-A1 ADENOSINE 2A RECEPTOR MODULATORS FOR USE IN THE TREATMENT OF CANCER UNIVERSITE DE GENEVE (CH) 2024-10-23 EP disclosed
WO-2023213761-A1 ADENOSINE 2A RECEPTOR MODULATORS FOR USE IN THE TREATMENT OF CANCER UNIVERSITE DE GENEVE (CH) 2023-11-09 WO disclosed