SCHEMBL29243192

SCHEMBL29243192

CCOCC1CC(O)CN1C(N)=O

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.34
PDK1 Q15118 1/20 0.33
DPP4 P27487 6/20 0.33
DPP8 Q6V1X1 6/20 0.33
DPP9 Q86TI2 6/20 0.33
PIK3CD O00329 1/20 0.33
RIPK1 Q13546 1/20 0.31
DPP7 Q9UHL4 1/20 0.31
FAP Q12884 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
SCHEMBL29243194 1.00 ATM (0.34) ATMPDK1DPP4DPP8DPP9
SCHEMBL23136538 0.85 ATM (0.46) ATMPDK1DPP4DPP8DPP9
SCHEMBL4303400 0.85 ATM (0.39) ATMPDK1DPP4DPP8DPP9
SCHEMBL376313 0.85 ATM (0.39) ATMPDK1DPP4DPP8DPP9
SCHEMBL25773997 0.81 CHRNB2 (0.38) ATMPDK1PIK3CDRIPK1
SCHEMBL19577902 0.81 ATM (0.39) ATMDPP4DPP8DPP9PIK3CD
SCHEMBL12553806 0.79 CYP1A2 (0.42) RIPK1
SCHEMBL13662048 0.79 CYP1A2 (0.42) RIPK1
SCHEMBL20643517 0.79 PDK1 (0.33) PDK1
SCHEMBL23178981 0.78 PDK1 (0.36) PDK1

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-113271950-B Pyrimidine compound or salt thereof 大鹏药品工业株式会社 2024-04-30 CN disclosed
CN-116368136-A EGFR inhibitors 大鹏药品工业株式会社 2023-06-30 CN disclosed