SCHEMBL30656267

SCHEMBL30656267

COc1nc(N)c(C#N)cc1C#N

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.55
POLB P06746 2/20 0.54
ALDH1A1 P00352 9/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
HPGD P15428 2/20 0.52
GAA P10253 2/20 0.47
LMNA P02545 3/20 0.43
HSD17B10 Q99714 2/20 0.43
HTT P42858 1/20 0.43
MAPT P10636 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
RXFP1 Q9HBX9 2/20 0.42
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
DYRK1A Q13627 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
USP2 O75604 1/20 0.42
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 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
SCHEMBL12682543 0.84 KDM4E (0.51) KDM4EPOLBALDH1A1MEN1KMT2A
SCHEMBL25962879 0.84 KDM4E (0.51) KDM4EPOLBALDH1A1MEN1KMT2A
SCHEMBL30656367 0.80 KDM4E (0.49) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL25962880 0.80 KDM4E (0.48) KDM4EPOLBALDH1A1MEN1KMT2A
SCHEMBL27883168 0.79 KDM4E (0.57) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL30656058 0.74 ADORA1 (0.46) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL810713 0.74 KDM4E (0.53) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL12682611 0.73 KDM4E (0.54) KDM4EPOLBALDH1A1MEN1KMT2A
SCHEMBL23860814 0.73 KHK (0.49) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL33525760 0.72 L3MBTL1 (0.49) KDM4EPOLBALDH1A1MEN1KMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119136802-A Adenosine 2A receptor modulators for the treatment of cancer 瑞士日内瓦大学 2024-12-13 CN claimed
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
CN-119136802-A Adenosine 2A receptor modulators for the treatment of cancer 瑞士日内瓦大学 2024-12-13 CN disclosed
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