SCHEMBL30833161

SCHEMBL30833161

Sc1cncn2ccnc12

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.39
SRC P12931 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.32
DYRK1A Q13627 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
SCHEMBL30835289 0.98 NUDT1 (0.38) NUDT1SRCL3MBTL1DYRK1A
SCHEMBL24521477 0.75 NUDT1 (0.39) NUDT1SRCL3MBTL1DYRK1A
SCHEMBL9611700 0.75 L3MBTL1 (0.47) NUDT1SRCL3MBTL1DYRK1A
SCHEMBL2658965 0.75 NUDT1 (0.39) NUDT1SRCL3MBTL1DYRK1A
SCHEMBL13229296 0.75 AXL (0.46) NUDT1SRCL3MBTL1DYRK1A
SCHEMBL21718781 0.72 NUDT1 (0.36) NUDT1SRCL3MBTL1
SCHEMBL31391522 0.71 SRC (0.44) NUDT1SRCDYRK1A
SCHEMBL31156498 0.71 CDK2 (0.50) NUDT1SRC
SCHEMBL23114458 0.71 NUDT1 (0.35) NUDT1SRCL3MBTL1
SCHEMBL15158580 0.71 NUDT1 (0.35) NUDT1SRCL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115448923-B Pyrimidine-fused ring compound, preparation method and application thereof 上海青煜医药科技有限公司 2024-03-22 CN disclosed