Sugi Predict

Sugi Predict / Compounds / SCHEMBL31060434

SCHEMBL31060434

SCHEMBL31060434

CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(C#CC(O)c4ccccc4)nc32)[C@@H](O)[C@H]1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 6/20 1.00
▸ ADORA2A P29274 5/20 1.00
▸ ADORA1 P30542 5/20 1.00
▸ ADORA2B P29275 4/20 1.00

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
SCHEMBL16585458 1.00 ADORA3 (1.00) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL30660777 1.00 ADORA3 (1.00) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL29427843 0.89 ADORA3 (1.00) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL12119014 0.83 ADORA2A (1.00) ADORA2AADORA2B
SCHEMBL12935985 0.83 ADORA2A (0.77) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL8102867 0.82 ADORA2A (1.00) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL29524075 0.82 ADORA2A (1.00) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL5734430 0.81 ADORA3 (1.00) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL4538178 0.81 ADORA3 (1.00) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL10146135 0.81 ADORA3 (0.71) ADORA3ADORA2AADORA1ADORA2B

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
EP-4662319-A2 PERSONALIZED CRISPR PROFILING FOR CANCER Integrate Bioscience LLC (US) 2025-12-17 — — EP disclosed
WO-2024168301-A2 PERSONALIZED CRISPR PROFILING FOR CANCER FUNCTION ONCOLOGY, INC. (US) 2024-08-15 — — WO disclosed