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Sugi Predict / Compounds / SCHEMBL31060554

SCHEMBL31060554

SCHEMBL31060554

CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4ccc(OC)cc4)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.81
▸ ADORA2B P29275 3/20 0.79
▸ ADORA2A P29274 1/20 0.79
▸ ADORA3 P0DMS8 2/20 0.78
▸ ADORA1 P30542 2/20 0.78
▸ CYP3A4 P08684 1/20 0.68
▸ NFKB1 P19838 1/20 0.68

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
SCHEMBL17371120 0.91 TSHR (0.85) TSHRADORA3CYP3A4NFKB1
SCHEMBL13975993 0.91 TSHR (0.85) TSHRADORA3CYP3A4NFKB1
SCHEMBL4542860 0.91 TSHR (0.85) TSHRADORA3CYP3A4NFKB1
SCHEMBL21139455 0.91 TSHR (0.85) TSHRADORA3CYP3A4NFKB1
SCHEMBL13975995 0.84 SLC29A1 (0.67) ADORA3ADORA1
SCHEMBL16585410 0.84 ADORA3 (0.85) TSHRADORA2BADORA2AADORA3ADORA1
SCHEMBL13834762 0.83 SLC29A1 (0.67) ADORA3ADORA1
SCHEMBL17825909 0.83 SLC29A1 (0.78) ADORA3ADORA1
SCHEMBL640071 0.83 SLC29A1 (0.78) ADORA3ADORA1
SCHEMBL21139431 0.83 SLC29A1 (0.78) ADORA3ADORA1

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