SCHEMBL30517809

SCHEMBL30517809

Cc1cnnc(NC2CCCN(C)C2)n1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 10/20 0.45
BPTF Q12830 1/20 0.45
CCNT1 O60563 1/20 0.41
CCNK O75909 1/20 0.41
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
CDK9 P50750 1/20 0.41
CDK12 Q9NYV4 1/20 0.41
IL1B P01584 6/20 0.41
NLRP3 Q96P20 4/20 0.41

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
SCHEMBL30517783 0.88 KAT2B (0.44) KAT2BBPTFCCNT1CCNKCCNE1
SCHEMBL30517804 0.83 EHMT2 (0.43) KAT2BBPTFCCNT1CCNKCCNE1
SCHEMBL30055172 0.77 IL1B (0.40) KAT2BIL1B
SCHEMBL30517822 0.76 EHMT2 (0.43) KAT2BBPTFCCNT1CCNKCCNE1
SCHEMBL25300741 0.75 BTK (0.50)
SCHEMBL25262909 0.75 BTK (0.50)
SCHEMBL25294649 0.75 KAT2B (0.45) KAT2BBPTFCCNT1CCNKCCNE1
SCHEMBL25253097 0.75 KAT2B (0.41) KAT2BBPTFIL1BNLRP3
SCHEMBL25294648 0.75 KAT2B (0.45) KAT2BBPTFCCNT1CCNKCCNE1
SCHEMBL25294680 0.75 KAT2B (0.41) KAT2BBPTFIL1BNLRP3

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-2023131277-A1 NLRP3 INFLAMMASOME INHIBITOR AND USES THEREOF 药捷安康(南京)科技股份有限公司 2023-07-13 WO disclosed