SCHEMBL24765256

SCHEMBL24765256

CCNc1nc(N)ncc1N

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.42
NLRP3 Q96P20 5/20 0.39
HRH4 Q9H3N8 1/20 0.36
MAPK8 P45983 1/20 0.36
PGK1 P00558 1/20 0.35
BCL6 P41182 2/20 0.35
TLR8 Q9NR97 1/20 0.35
KDM4E B2RXH2 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
SCHEMBL17209800 0.81 BCL6 (0.51) NUDT1L3MBTL1NLRP3PGK1BCL6
SCHEMBL1801013 0.81 LMNA (0.39) L3MBTL1MAPK8PGK1
SCHEMBL12639125 0.78 ALDH1A1 (0.39) MAPK8PGK1KDM4E
SCHEMBL3159641 0.77 NUDT1 (0.43) NUDT1L3MBTL1HRH4KDM4E
SCHEMBL16011451 0.77 NUDT1 (0.42) NUDT1L3MBTL1HRH4BCL6
SCHEMBL29582290 0.77 NUDT1 (0.47) NUDT1
SCHEMBL21346508 0.72 KDM4E (0.41) MAPK8PGK1KDM4E
SCHEMBL5518128 0.71 CDK4 (0.45)
SCHEMBL23392698 0.71 APP (0.59)
SCHEMBL11578567 0.69 NLRP3 (0.43) L3MBTL1NLRP3MAPK8PGK1

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-2022262784-A1 IDH MUTANT INHIBITOR AND USE THEREOF 微境生物医药科技(上海)有限公司 2022-12-22 WO disclosed