SCHEMBL30656166

SCHEMBL30656166

N#Cc1cc(C#N)c(OCc2ccccc2)nc1N

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.54
MAOB P27338 2/20 0.50
SQOR Q9Y6N5 1/20 0.50
MGMT P16455 3/20 0.49
CDK1 P06493 1/20 0.49
CCNB1 P14635 1/20 0.49
CCNA2 P20248 1/20 0.49
CDK2 P24941 1/20 0.49
CCNA1 P78396 1/20 0.49
ALDH1A1 P00352 2/20 0.46
GAA P10253 2/20 0.46
KDM4E B2RXH2 2/20 0.46
ACHE P22303 2/20 0.46
MPO P05164 1/20 0.44
TPO P07202 1/20 0.44
CYP3A4 P08684 1/20 0.44
EPX P11678 1/20 0.44
BCHE P06276 1/20 0.43

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
SCHEMBL30656367 0.76 KDM4E (0.49) ALDH1A1GAAKDM4E
SCHEMBL5372244 0.76 ALDH1A1 (0.39) CNR1MAOBSQORMGMTCDK1
SCHEMBL9449258 0.75 CNR1 (0.47) CNR1MAOBSQOR
SCHEMBL4286787 0.75 HDAC1 (0.58) CNR1MAOBSQORGAA
SCHEMBL30656125 0.75 KDM4E (0.58) ALDH1A1GAAKDM4EACHECYP3A4
SCHEMBL9846091 0.74 ALDH1A1 (0.53) CNR1ALDH1A1GAAKDM4ECYP3A4
SCHEMBL30656058 0.74 ADORA1 (0.46) CNR1CCNA2CDK2CCNA1ALDH1A1
SCHEMBL3092226 0.74 MAOB (0.50) CNR1MAOBSQORMGMTMPO
SCHEMBL21408266 0.73 MAOB (0.50) CNR1MAOBSQOR
SCHEMBL6362719 0.73 MGMT (0.63) MAOBSQORMGMTCDK1CCNB1

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