SCHEMBL6505603

SCHEMBL6505603

CCC(=O)Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 16/20 1.00
ADORA3 P0DMS8 11/20 1.00
ADORA2A P29274 6/20 1.00
ADORA2B P29275 5/20 1.00
KDM4E B2RXH2 2/20 0.69
ALDH1A1 P00352 2/20 0.69
HPGD P15428 2/20 0.69
MEN1 O00255 1/20 0.69
MAPT P10636 1/20 0.69
KMT2A Q03164 1/20 0.69
ATM Q13315 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
SCHEMBL6508924 0.90 ADORA1 (0.82) ADORA1ADORA3ADORA2AADORA2BKDM4E
SCHEMBL6499771 0.88 ADORA1 (1.00) ADORA1ADORA3ADORA2AADORA2BKDM4E
SCHEMBL24227646 0.84 ADORA1 (0.72) ADORA1ADORA3ADORA2AADORA2BMEN1
SCHEMBL6501467 0.83 ADORA1 (1.00) ADORA1ADORA3ADORA2AADORA2BKDM4E
SCHEMBL24227492 0.83 ADORA1 (0.76) ADORA1ADORA3ADORA2AADORA2BKDM4E
SCHEMBL17451134 0.82 ADORA1 (0.69) ADORA1ADORA3ADORA2AADORA2BKDM4E
SCHEMBL26053899 0.82 ADORA1 (0.72) ADORA1ADORA3ADORA2AADORA2B
SCHEMBL26055757 0.81 ADORA1 (1.00) ADORA1ADORA3ADORA2AADORA2BKDM4E
SCHEMBL6529699 0.81 ADORA1 (0.74) ADORA1ADORA3ADORA2AADORA2BMEN1
SCHEMBL26053924 0.81 ADORA1 (0.71) ADORA1ADORA3ADORA2AADORA2B

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005033085-A1 PYRIMIDINES DERIVATIVES AS ADENOSINE RECEPTORS LIGANDS UNIVERSITEIT LEIDEN (NL) 2005-04-14 WO claimed
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-2005033085-A1 PYRIMIDINES DERIVATIVES AS ADENOSINE RECEPTORS LIGANDS UNIVERSITEIT LEIDEN (NL) 2005-04-14 WO disclosed