SCHEMBL31061415

SCHEMBL31061415

Nc1ncnc2c1nc(Br)n2C1CCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 17/20 1.00
▸ ADORA1 P30542 15/20 1.00
▸ ADORA2B P29275 13/20 1.00
▸ ADORA3 P0DMS8 11/20 1.00
▸ PI4KA P42356 3/20 0.50
▸ PI4K2B Q8TCG2 3/20 0.50
▸ PI4K2A Q9BTU6 3/20 0.50
▸ PI4KB Q9UBF8 3/20 0.50
▸ NADK O95544 1/20 0.48
▸ FBP1 P09467 1/20 0.47

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
SCHEMBL5732373 0.97 ADORA2A (1.00) ADORA2AADORA1ADORA2BADORA3PI4KA
SCHEMBL31061173 0.95 ADORA2A (1.00) ADORA2AADORA1ADORA2BADORA3PI4KA
SCHEMBL3520232 0.83 ADORA2A (0.70) ADORA2AADORA1ADORA2BADORA3PI4KA
SCHEMBL3520300 0.82 ADORA2A (0.68) ADORA2AADORA1ADORA2BADORA3NADK
SCHEMBL5732265 0.79 ADORA2A (0.69) ADORA2AADORA1ADORA2BADORA3PI4KA
SCHEMBL3517750 0.75 ADORA2A (0.59) ADORA2AADORA1ADORA2BADORA3
SCHEMBL10379475 0.73 ADORA2A (0.68) ADORA2AADORA1ADORA2BADORA3NADK
SCHEMBL29328691 0.72 ADORA2A (0.56) ADORA2AADORA1ADORA2BADORA3NADK
SCHEMBL29709122 0.72 ADORA2A (0.56) ADORA2AADORA1ADORA2BADORA3NADK
SCHEMBL23679559 0.70 ADORA2A (0.64) ADORA2AADORA1ADORA2BADORA3PI4KA

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
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