SCHEMBL24692153

SCHEMBL24692153

Nc1cc(C2CCCCCCC2)ncn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.41
HRH4 Q9H3N8 2/20 0.41
PI4KA P42356 3/20 0.40
PI4K2B Q8TCG2 3/20 0.40
PI4K2A Q9BTU6 3/20 0.40
PI4KB Q9UBF8 3/20 0.40
ADORA2A P29274 2/20 0.40
ADORA3 P0DMS8 1/20 0.38
ADORA1 P30542 1/20 0.38
BACE1 P56817 1/20 0.38
CSF1R P07333 1/20 0.37
ASIC3 Q9UHC3 1/20 0.37
ALOX5AP P20292 2/20 0.37
FEN1 P39748 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL2076056 1.00 KMO (0.54) KMOL3MBTL1HRH4PI4KAPI4K2B
SCHEMBL30566910 0.98 KMO (0.51) KMOL3MBTL1HRH4PI4KAPI4K2B
SCHEMBL25369779 0.98 KMO (0.51) KMOL3MBTL1HRH4PI4KAPI4K2B
SCHEMBL17891983 0.94 KMO (0.47) KMOL3MBTL1HRH4PI4KAPI4K2B
SCHEMBL6119719 0.90 KMO (0.42) KMOPI4KAPI4K2BPI4K2API4KB
SCHEMBL31000813 0.85 KMO (0.63) KMOL3MBTL1HRH4PI4KAPI4K2B
Formic Acid SCHEMBL28591621 0.84 KMO (0.47) KMOL3MBTL1HRH4PI4KAPI4K2B
SCHEMBL23025135 0.81 RET (0.38) KMOCSF1RASIC3RETCA2
Formic Acid SCHEMBL27917749 0.79 KMO (0.42) KMOADORA2AASIC3ALOX5APFEN1
SCHEMBL25178766 0.74 RET (0.34) KMOASIC3RAB9ARETCA2

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