SCHEMBL31060487

SCHEMBL31060487

COc1nc2ccccc2c2nn(-c3ccccc3)cc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 18/20 1.00
ADORA2A P29274 9/20 0.55
ADORA1 P30542 7/20 0.55
CA9 Q16790 1/20 0.46

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
SCHEMBL5504183 0.74 ADORA3 (0.68) ADORA3ADORA2AADORA1
SCHEMBL7048658 0.71 CYP1A2 (0.58) ADORA3
SCHEMBL31061120 0.71 ADORA3 (1.00) ADORA3ADORA2AADORA1
SCHEMBL31714262 0.70 ADORA3 (0.54) ADORA3ADORA2AADORA1
SCHEMBL31714415 0.69 RAB9A (0.60) ADORA3ADORA2AADORA1
SCHEMBL9026128 0.68 ADORA3 (0.51) ADORA3ADORA1
SCHEMBL28804178 0.68 PARP1 (0.52) ADORA3ADORA2AADORA1
SCHEMBL5350955 0.68 RAB9A (0.62) ADORA3CA9
SCHEMBL5505166 0.68 ADORA3 (0.62) ADORA3ADORA2AADORA1
SCHEMBL2974505 0.66 ADORA3 (0.49) ADORA3ADORA2AADORA1

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