SCHEMBL31712947

SCHEMBL31712947

Nc1nc2c(c(N)c1N)CCCN2

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
UHRF1 Q96T88 1/20 0.46
CHRM3 P20309 2/20 0.36
PDE4A P27815 2/20 0.36
PDE4B Q07343 2/20 0.36
PDE4C Q08493 2/20 0.36
PDE4D Q08499 2/20 0.36
ACHE P22303 2/20 0.34
BCHE P06276 1/20 0.34
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
BPTF Q12830 1/20 0.33
NUDT1 P36639 1/20 0.31
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 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
SCHEMBL16916462 0.73 UHRF1 (0.43) UHRF1CHRM3PDE4APDE4BPDE4C
SCHEMBL9851400 0.71 BCHE (0.63) ACHEBCHEMAPK1KMT2A
SCHEMBL4390017 0.70 UHRF1 (0.37) UHRF1CHRM3PDE4APDE4BPDE4C
SCHEMBL3350655 0.70 UHRF1 (0.41) UHRF1CHRM3PDE4APDE4BPDE4C
SCHEMBL9039446 0.69 UHRF1 (0.43) UHRF1CHRM3PDE4APDE4BPDE4C
SCHEMBL19268426 0.69 KDM4E (0.39) UHRF1ACHEBCHEMEN1MAPK1
SCHEMBL15757443 0.68 UHRF1 (0.42) UHRF1MEN1KMT2ANOS3NOS1
SCHEMBL9851355 0.68 ACHE (0.61) UHRF1ACHEBCHE
SCHEMBL28737016 0.67 HTT (0.43) MEN1MAPK1KMT2A
SCHEMBL20109483 0.67 UHRF1 (0.45) UHRF1CHRM3PDE4APDE4BPDE4C

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
US-20250338712-A1 LIGHT-EMITTING DEVICE INCLUDING ORGANOMETALLIC COMPOUND, ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE, AND THE ORGANOMETALLIC COMPOUND SAMSUNG DISPLAY CO LTD (KR) 2025-10-30 US claimed
US-20250338712-A1 LIGHT-EMITTING DEVICE INCLUDING ORGANOMETALLIC COMPOUND, ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE, AND THE ORGANOMETALLIC COMPOUND SAMSUNG DISPLAY CO LTD (KR) 2025-10-30 US disclosed