SCHEMBL31074751

SCHEMBL31074751

Cc1c(N)c(-c2cn[nH]c2)nn1COCC[Si](C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.32
LRRK2 Q5S007 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
AKT1 P31749 1/20 0.32
ROCK1 Q13464 1/20 0.32
MTOR P42345 1/20 0.31
DGAT1 O75907 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
SCHEMBL17619676 0.81 KDM4E (0.40) KDM4EDGAT1
SCHEMBL31074728 0.81 ALDH1A1 (0.32) ROCK2KDM4EALDH1A1
SCHEMBL31124031 0.75 GAA (0.45) KDM4EDGAT1
SCHEMBL1330672 0.73 DGAT1 (0.38) ROCK2KDM4EALDH1A1DGAT1
SCHEMBL29062157 0.72 DGAT1 (0.33) DGAT1
SCHEMBL31086380 0.71 NPC1 (0.51) ROCK2LRRK2ROCK1
SCHEMBL16772774 0.67 DGAT1 (0.34) DGAT1
SCHEMBL22143932 0.67 CYP1A2 (0.36) KDM4EALDH1A1DGAT1
SCHEMBL22125901 0.67 DGAT1 (0.33) DGAT1
SCHEMBL29062174 0.67 DGAT1 (0.36) ROCK2DGAT1

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-4665734-A1 CYCLIN-DEPENDENT KINASE (CDK2) INHIBITORS Novartis AG (CH) 2025-12-24 EP disclosed
WO-2024171094-A1 CYCLIN-DEPENDENT KINASE (CDK2) INHIBITORS NOVARTIS AG (CH) 2024-08-22 WO disclosed