SCHEMBL30488571

SCHEMBL30488571

C#Cc1ccc(-c2nnc(N[C@@H]3CCCNC3)nc2OC)c(O)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDK7 P50613 6/20 0.41
CCNH P51946 6/20 0.41
MNAT1 P51948 5/20 0.41
CCNK O75909 6/20 0.39
CDK12 Q9NYV4 6/20 0.39
CCNT1 O60563 5/20 0.39
CCNE1 P24864 5/20 0.39
CDK2 P24941 5/20 0.39
CDK9 P50750 5/20 0.39
CHEK2 O96017 6/20 0.38
EHMT2 Q96KQ7 4/20 0.37
CHEK1 O14757 2/20 0.36

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
SCHEMBL25300773 1.00 CDK7 (0.41) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL25300774 1.00 CDK7 (0.41) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL30488470 0.88 CDK7 (0.41) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL25302533 0.88 CDK7 (0.41) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL25302529 0.88 CDK7 (0.41) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL31197252 0.85 EHMT2 (0.40) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL30488577 0.85 CDK7 (0.39) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL25295337 0.85 CDK7 (0.39) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL25295338 0.85 CDK7 (0.39) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL30488496 0.83 IL1B (0.47) EHMT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119798221-A NLRP3 inflammation corpuscle inhibitor and application thereof 药捷安康(南京)科技股份有限公司 2025-04-11 CN disclosed
CN-116410140-A NLRP3 inflammation corpuscle inhibitor and application thereof 药捷安康(南京)科技股份有限公司 2023-07-11 CN disclosed