SCHEMBL31315933

SCHEMBL31315933

CCC1CN(C)c2c(nc(N)[nH]c2=O)N1Cc1cccs1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PNP P00491 6/20 0.46
▸ ADORA2A P29274 2/20 0.34
▸ ADORA2B P29275 2/20 0.34
▸ ADORA1 P30542 2/20 0.34
▸ ADORA3 P0DMS8 1/20 0.34
▸ NOS1 P29475 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ TNKS2 Q9H2K2 1/20 0.32

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
SCHEMBL31315930 0.83 PNP (0.45) PNPALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL31315931 0.73 PNP (0.37) PNPADORA2AADORA2BLMNA
SCHEMBL9665336 0.72 PNP (0.51) PNPADORA2AADORA2BADORA1ADORA3
SCHEMBL9798158 0.71 PNP (0.50) PNPADORA2AADORA2BADORA1ADORA3
SCHEMBL31315968 0.70 NOS3 (0.32) PNPNOS1ALDH1A1MEN1KMT2A
SCHEMBL31315956 0.70 PNP (0.33) PNPADORA2AADORA2BNOS1ALDH1A1
SCHEMBL9798123 0.68 PNP (0.52) PNPNOS1ALDH1A1KDM4EL3MBTL1
SCHEMBL10642220 0.66 PNP (0.44) PNPNOS1KDM4ESMN1; SMN2MAPT
SCHEMBL9665264 0.63 PNP (1.00) PNPNOS1ALDH1A1KDM4EMEN1
SCHEMBL9798219 0.63 PNP (0.67) PNPADORA2AADORA2BADORA1ADORA3

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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