SCHEMBL1663612

SCHEMBL1663612

CCC(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 20/20 1.00
ADORA2B P29275 7/20 0.81
ALDH1A1 P00352 1/20 0.80
CYP1A2 P05177 1/20 0.80
CYP3A4 P08684 1/20 0.80
CYP2D6 P10635 1/20 0.80
CYP2C9 P11712 1/20 0.80
HPGD P15428 1/20 0.80
ALOX15 P16050 1/20 0.80
TSHR P16473 1/20 0.80
ADORA2A P29274 1/20 0.80
ADORA1 P30542 1/20 0.80
CYP2C19 P33261 1/20 0.80
CREBBP Q92793 1/20 0.80
HSD17B10 Q99714 1/20 0.80

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
SCHEMBL8111292 0.94 ADORA3 (1.00) ADORA3ADORA2BALDH1A1CYP1A2CYP3A4
SCHEMBL1662148 0.91 ADORA3 (1.00) ADORA3ADORA2BALDH1A1CYP1A2CYP3A4
SCHEMBL1666099 0.89 ADORA3 (1.00) ADORA3ADORA2BALDH1A1CYP1A2CYP3A4
SCHEMBL29386608 0.89 ADORA3 (1.00) ADORA3ADORA2BALDH1A1CYP1A2CYP3A4
SCHEMBL927261 0.89 ADORA3 (1.00) ADORA3ADORA2BALDH1A1CYP1A2CYP3A4
SCHEMBL8106742 0.87 ADORA3 (1.00) ADORA3ADORA2BALDH1A1CYP1A2CYP3A4
SCHEMBL1663767 0.87 ADORA3 (1.00) ADORA3ADORA2BALDH1A1CYP1A2CYP3A4
SCHEMBL6379174 0.85 ADORA3 (0.91) ADORA3ADORA2BALDH1A1CYP1A2CYP3A4
SCHEMBL15124821 0.85 ADORA3 (0.81) ADORA3ADORA2BALDH1A1CYP1A2CYP3A4
SCHEMBL1663534 0.84 ADORA3 (1.00) ADORA3ADORA2B

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 5 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
US-11857600-B2 GPCR heteromer inhibitors and uses thereof GPCR THERAPEUTICS, INC. (KR) 2024-01-02 US disclosed
EP-2311806-A2 Dihydropyridine-, pyridine-, benzopyranone- and triazoloquinazoline derivatives, their preparation and their use as adenosine receptor antagonists The United States of America, Represented by the Secretary, Department of Health and Human Services (US) 2011-04-20 EP disclosed
US-6066642-A FOR SELECTIVELY BLOCKING THE A3 ADENOSINE RECEPTOR OF A MAMMAL THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2000-05-23 US disclosed