SCHEMBL30758976

SCHEMBL30758976

CC(C)(C)OC(=O)N1CCOCC(CCNC(=O)OCc2ccccc2)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ABCB1 P08183 1/20 0.44
KLK7 P49862 2/20 0.44
KLK5 Q9Y337 2/20 0.44
MAPT P10636 1/20 0.44
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
GPR119 Q8TDV5 1/20 0.42
KEAP1 Q14145 2/20 0.42
NFE2L2 Q16236 2/20 0.42
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42
SYK P43405 1/20 0.42
NAMPT P43490 1/20 0.42
BCHE P06276 2/20 0.41
ACHE P22303 2/20 0.41
CACNA1F O60840 1/20 0.41
CACNA1D Q01668 1/20 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
SCHEMBL19063606 0.88 KDM4E (0.53) ABCB1ITGB3ITGA2BGPR119KEAP1
SCHEMBL30990345 0.88 KDM4E (0.53) ABCB1ITGB3ITGA2BGPR119KEAP1
SCHEMBL24392263 0.87 NAMPT (0.51) MEN1KMT2AABCB1KLK7KLK5
SCHEMBL28512955 0.85 ABCB1 (0.46) MEN1KMT2ANPSR1ABCB1KLK7
SCHEMBL28505326 0.85 ABCB1 (0.46) MEN1KMT2ANPSR1ABCB1KLK7
SCHEMBL20782479 0.84 KDM4E (0.58) ITGB3ITGA2BGPR119KEAP1NFE2L2
SCHEMBL17157131 0.83 MEN1 (0.49) MEN1KMT2ANPSR1GPR119SYK
SCHEMBL21248918 0.81 ABCB1 (0.53) ABCB1KLK7KLK5MAPTITGB3
SCHEMBL20660097 0.81 KDM4E (0.54) MEN1KMT2AITGB3ITGA2BGPR119
SCHEMBL31251088 0.80 GPR119 (0.51) MEN1KMT2AABCB1GPR119KEAP1

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-4573095-A1 PYRIDOPYRIMIDINE KRAS INHIBITORS Treeline Biosciences, Inc. (US) 2025-06-25 EP disclosed
WO-2024040131-A1 PYRIDOPYRIMIDINE KRAS INHIBITORS Treeline Biosciences, Inc. (US) 2024-02-22 WO disclosed