SCHEMBL6942413

SCHEMBL6942413

COc1ccc(C(=O)Nc2nc(-c3ccccc3)ns2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 12/20 1.00
MAPT P10636 5/20 0.78
RXFP1 Q9HBX9 2/20 0.74
SMN1; SMN2 Q16637 2/20 0.72
MEN1 O00255 1/20 0.64
NPC1 O15118 1/20 0.64
RAB9A P51151 1/20 0.64
KMT2A Q03164 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.63
ADORA1 P30542 1/20 0.62

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
SCHEMBL29530821 0.86 ADORA3 (1.00) ADORA3MAPTRXFP1SMN1; SMN2MEN1
SCHEMBL4243345 0.84 ADORA3 (1.00) ADORA3MAPTRXFP1SMN1; SMN2MEN1
SCHEMBL18094502 0.83 ADORA3 (0.71) ADORA3MAPTSMN1; SMN2MEN1NPC1
SCHEMBL4241185 0.81 ADORA3 (1.00) ADORA3MAPTRXFP1SMN1; SMN2MEN1
SCHEMBL10248489 0.79 ADORA3 (0.78) ADORA3MAPTRXFP1SMN1; SMN2MEN1
SCHEMBL235277 0.79 ADORA1 (0.78) ADORA3MAPTRXFP1SMN1; SMN2MEN1
SCHEMBL2753298 0.79 ADORA3 (1.00) ADORA3MAPTRXFP1SMN1; SMN2MEN1
SCHEMBL9891812 0.78 ADORA3 (0.74) ADORA3MAPTRXFP1SMN1; SMN2MEN1
SCHEMBL6370742 0.78 ADORA3 (0.71) ADORA3MAPTRXFP1SMN1; SMN2MEN1
SCHEMBL16254958 0.78 SMN1; SMN2 (1.00) ADORA3MAPTRXFP1SMN1; SMN2MEN1

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 3 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
WO-2003103675-A2 COMBINATION TREATMENTS FOR PURINOCEPTOR-RELATED DISORDERS ENDACEA, INC. (US) 2003-12-18 WO disclosed