SCHEMBL30656367

SCHEMBL30656367

CCOc1nc(N)c(C#N)cc1C#N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.49
HSD17B10 Q99714 3/20 0.49
ALDH1A1 P00352 5/20 0.48
MAPT P10636 3/20 0.48
LMNA P02545 3/20 0.48
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TDP1 Q9NUW8 1/20 0.46
MAPK8 P45983 5/20 0.44
RPS27 P42677 2/20 0.44
GAA P10253 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
HTT P42858 2/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
PPARG P37231 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
MAPK9 P45984 3/20 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
SCHEMBL30656267 0.80 KDM4E (0.55) KDM4EHSD17B10ALDH1A1MAPTLMNA
SCHEMBL30656058 0.80 ADORA1 (0.46) KDM4EHSD17B10ALDH1A1MAPTLMNA
SCHEMBL30656166 0.76 CNR1 (0.54) KDM4EALDH1A1GAA
SCHEMBL13514630 0.76 KDM4E (0.40) KDM4EHSD17B10ALDH1A1MAPTLMNA
SCHEMBL27883168 0.74 KDM4E (0.57) KDM4EHSD17B10ALDH1A1MAPTLMNA
SCHEMBL12842048 0.73 KDM4E (0.46) KDM4EHSD17B10ALDH1A1MAPTLMNA
SCHEMBL22165383 0.72 KDM4E (0.42) KDM4EHSD17B10ALDH1A1MAPTLMNA
SCHEMBL7830973 0.72 ALDH1A1 (0.56) KDM4EHSD17B10ALDH1A1MAPTLMNA
SCHEMBL30185818 0.72 ALDH1A1 (0.56) KDM4EHSD17B10ALDH1A1MAPTHPGD
SCHEMBL10371014 0.70 L3MBTL1 (0.55) KDM4EHSD17B10ALDH1A1MAPTTDP1

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 4 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 claimed
WO-2023213761-A1 ADENOSINE 2A RECEPTOR MODULATORS FOR USE IN THE TREATMENT OF CANCER UNIVERSITE DE GENEVE (CH) 2023-11-09 WO claimed
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