SCHEMBL31315930

SCHEMBL31315930

CCC1CN(C)c2c(nc(N)[nH]c2=O)N1Cc1sccc1C

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PNP P00491 3/20 0.45
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ GAA P10253 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ BRD4 O60885 1/20 0.32
▸ PLK1 P53350 1/20 0.32
▸ ALK Q9UM73 1/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ RECQL P46063 1/20 0.31
▸ LMNA P02545 2/20 0.30
▸ HPGD P15428 1/20 0.30

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
SCHEMBL31315933 0.83 PNP (0.46) PNPKDM4EALDH1A1MEN1KMT2A
SCHEMBL10385884 0.74 PNP (0.47) PNPKDM4EALDH1A1GAAMEN1
SCHEMBL31315931 0.72 PNP (0.37) PNPLMNA
SCHEMBL9799108 0.70 HPRT1 (0.47) PNPKDM4EALDH1A1GAAMEN1
SCHEMBL31315968 0.70 NOS3 (0.32) PNPALDH1A1MEN1KMT2ALMNA
SCHEMBL31315956 0.69 PNP (0.33) PNPALDH1A1MEN1KMT2ALMNA
SCHEMBL10385882 0.66 PNP (0.64) PNP
SCHEMBL9799097 0.65 PNP (0.60) PNPALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL9434575 0.63 PNP (1.00) PNP
SCHEMBL1586365 0.61 PNP (0.37) PNP

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-119241548-A Dihydropteridinone derivatives containing fused benzene rings and use thereof 沈阳药科大学 2025-01-03 — — CN claimed
CN-119241548-A Dihydropteridinone derivatives containing fused benzene rings and use thereof 沈阳药科大学 2025-01-03 — — CN disclosed
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