SCHEMBL31602192

SCHEMBL31602192

C#Cc1cccc(Nc2nc(Cl)nc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1

nearest known ligand 0.76

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.60
ADORA2A P29274 2/20 0.60
ADORA2B P29275 2/20 0.60
ADORA1 P30542 2/20 0.60
MEN1 O00255 1/20 0.58
CYP1A2 P05177 1/20 0.58
MAPK1 P28482 1/20 0.58
KMT2A Q03164 1/20 0.58
RXFP1 Q9HBX9 1/20 0.57
LMNA P02545 1/20 0.57
TP53 P04637 1/20 0.57

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
SCHEMBL31602162 0.87 LMNA (0.75) ADORA3ADORA1CYP1A2MAPK1RXFP1
SCHEMBL4801134 0.86 LMNA (0.73) ADORA3ADORA2AADORA2BADORA1CYP1A2
SCHEMBL5389974 0.86 LMNA (0.73) ADORA3ADORA2AADORA2BADORA1CYP1A2
SCHEMBL6259642 0.86 LMNA (0.73) ADORA3ADORA2AADORA2BADORA1CYP1A2
SCHEMBL31602021 0.82 SARS1 (0.50) ADORA3ADORA2AADORA1
SCHEMBL5390238 0.80 ADORA1 (0.62) ADORA3ADORA2AADORA2BADORA1MEN1
SCHEMBL3949755 0.80 ADORA1 (0.62) ADORA3ADORA2AADORA2BADORA1MEN1
SCHEMBL7076255 0.80 ADORA1 (0.62) ADORA3ADORA2AADORA2BADORA1MEN1
SCHEMBL7076252 0.80 ADORA1 (0.62) ADORA3ADORA2AADORA2BADORA1MEN1
SCHEMBL31602135 0.80 LMNA (0.63) ADORA3ADORA1CYP1A2MAPK1RXFP1

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
WO-2025110557-A1 COMPOUND DERIVATIVE FOR INHIBITING USE1 ACTIVITY, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER, COMPRISING SAME 한국화학연구원 2025-05-30 WO disclosed