SCHEMBL31315968

SCHEMBL31315968

CCC1CN(C)c2c(nc(N)[nH]c2=O)N1C1CCCC1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NOS3 P29474 1/20 0.32
▸ NOS1 P29475 1/20 0.32
▸ NOS2 P35228 1/20 0.32
▸ PNP P00491 3/20 0.31
▸ MEN1 O00255 2/20 0.30
▸ KMT2A Q03164 2/20 0.30
▸ ABL1 P00519 1/20 0.30
▸ RIN1 Q13671 1/20 0.30
▸ PDE9A O76083 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ LMNA P02545 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
SCHEMBL31315956 0.99 PNP (0.33) NOS3NOS1NOS2PNPMEN1
SCHEMBL31315931 0.81 PNP (0.37) PNPPDE9ALMNA
SCHEMBL30249002 0.79 PLK1 (0.42) —
SCHEMBL30248840 0.79 PLK1 (0.42) —
SCHEMBL30248967 0.74 BRD4 (0.35) NOS3NOS1NOS2
SCHEMBL31315933 0.70 PNP (0.46) NOS1PNPMEN1KMT2AALDH1A1
SCHEMBL31315930 0.70 PNP (0.45) PNPMEN1KMT2AALDH1A1LMNA
SCHEMBL1586365 0.67 PNP (0.37) NOS3NOS1NOS2PNP
SCHEMBL31315883 0.67 NOS1 (0.43) NOS3NOS1NOS2PNPKMT2A
SCHEMBL28281466 0.65 PLK1 (0.45) —

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
Send feedback