SCHEMBL24692145

SCHEMBL24692145

Nc1cc(CC2CCCCCCCCCC2)ncn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5B Q9UGL1 2/20 0.36
KDM5A P29375 1/20 0.36
FEN1 P39748 1/20 0.35
HRH4 Q9H3N8 2/20 0.35
HTR3A P46098 1/20 0.35
CDK2 P24941 1/20 0.35
MAP4K4 O95819 1/20 0.34
PI4KA P42356 2/20 0.34
PI4K2B Q8TCG2 2/20 0.34
PI4K2A Q9BTU6 2/20 0.34
PI4KB Q9UBF8 2/20 0.34
ADORA2A P29274 1/20 0.34
MCHR1 Q99705 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
NFE2L2 Q16236 1/20 0.33
DAO P14920 1/20 0.33
CSF1R P07333 1/20 0.33
CYP11B2 P19099 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33

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
SCHEMBL31508067 0.91 CA2 (0.35) MAP4K4CA2CHKA
SCHEMBL28260875 0.74 NFE2L2 (0.39) KDM5BKDM5AFEN1HRH4HTR3A
SCHEMBL3468993 0.70 HRH3 (0.38) KDM5BKDM5AFEN1HRH4CDK2
SCHEMBL16290873 0.70 CDK2 (0.43) FEN1CDK2MCHR1
SCHEMBL21384053 0.69 CYP11B2 (0.39) FEN1HRH4HTR3AMCHR1HRH3
SCHEMBL18616362 0.68 CDK2 (0.40) FEN1HRH4HTR3ACDK2MCHR1
SCHEMBL20671956 0.68 CDK2 (0.40) FEN1HRH4HTR3ACDK2MCHR1
SCHEMBL24692153 0.68 KMO (0.54) FEN1HRH4PI4KAPI4K2BPI4K2A
SCHEMBL2076056 0.68 KMO (0.54) FEN1HRH4PI4KAPI4K2BPI4K2A
SCHEMBL28819054 0.68 NFE2L2 (0.44) FEN1HRH4HTR3AMCHR1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022256075-A1 PYRIMIDINE AND PYRIDINE AMINE COMPOUNDS AND USAGE THEREOF IN DISEASE TREATMENT EPIGEN BIOSCIENCES, INC. (US) 2022-12-08 WO disclosed