SCHEMBL31039775

SCHEMBL31039775

Cc1nc(N[C@H]2CNC[C@@H](O)C2)nnc1Cl

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCNK O75909 2/20 0.34
CDK12 Q9NYV4 2/20 0.34
CCNT1 O60563 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
CDK9 P50750 1/20 0.34
CDK7 P50613 1/20 0.31
CCNH P51946 1/20 0.31
MNAT1 P51948 1/20 0.31

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
SCHEMBL29325879 0.81 IRAK4 (0.35) CCNT1CDK9
SCHEMBL29325872 0.81 IRAK4 (0.35) CCNT1CDK9
SCHEMBL29325964 0.79 MAPK8 (0.39) CCNT1CDK2CDK9CDK7
SCHEMBL29155917 0.79 MAPK8 (0.39) CCNT1CDK2CDK9CDK7
SCHEMBL29326237 0.79 MAPK8 (0.39) CCNT1CDK2CDK9CDK7
SCHEMBL29326234 0.79 MAPK8 (0.39) CCNT1CDK2CDK9CDK7
SCHEMBL29325972 0.79 MAPK8 (0.39) CCNT1CDK2CDK9CDK7
SCHEMBL29155922 0.79 MAPK8 (0.39) CCNT1CDK2CDK9CDK7
SCHEMBL30684778 0.79 MAPK8 (0.39) CCNT1CDK2CDK9CDK7
SCHEMBL29325869 0.78 MAPK10 (0.36) CCNE1CDK2CDK9CDK7

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
EP-4630417-A1 NOVEL COMPOUNDS AS MODULATORS OF NLRP3 INHIBITION F. Hoffmann-La Roche AG (CH) 2025-10-15 EP disclosed
WO-2024121086-A1 NOVEL COMPOUNDS AS MODULATORS OF NLRP3 INHIBITION F. HOFFMANN-LA ROCHE AG (CH) 2024-06-13 WO disclosed