SCHEMBL30656347

SCHEMBL30656347

N#Cc1cc(C#N)c(N(CCO)CCO)nc1N

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.48
HTT P42858 2/20 0.48
KDM4E B2RXH2 11/20 0.42
ALDH1A1 P00352 6/20 0.42
LMNA P02545 3/20 0.38
HSD17B10 Q99714 3/20 0.38
MAPT P10636 4/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
RAB9A P51151 1/20 0.36
APAF1 O14727 1/20 0.36
MCL1 Q07820 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CCNA2 P20248 2/20 0.35
CDK2 P24941 2/20 0.35
CCNA1 P78396 2/20 0.35
EGFR P00533 1/20 0.35
CSNK1A1 P48729 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34

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
SCHEMBL30656146 0.80 KDM4E (0.52) GAAHTTKDM4EALDH1A1LMNA
SCHEMBL31524204 0.73 CSNK1A1 (0.47) GAAHTTKDM4EALDH1A1HSD17B10
SCHEMBL27883168 0.72 KDM4E (0.57) GAAHTTKDM4EALDH1A1LMNA
SCHEMBL30656079 0.70 KDM4E (0.47) GAAHTTKDM4EALDH1A1LMNA
SCHEMBL7283859 0.69 PDE3B (0.44) GAAHTTKDM4EALDH1A1LMNA
SCHEMBL30656058 0.68 ADORA1 (0.46) GAAHTTKDM4EALDH1A1LMNA
SCHEMBL30656353 0.68 CCNA2 (0.63) GAAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL12449940 0.67 GAA (0.40) GAAHTTKDM4EMAPTSMN1; SMN2
SCHEMBL13567348 0.66 GAA (0.39) GAAHTTKDM4ESLC29A1
SCHEMBL26633002 0.66 ADORA1 (0.50) HTTKDM4EALDH1A1LMNAHSD17B10

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