SCHEMBL29936752

SCHEMBL29936752

Cc1cc(N)nc(Cl)c1C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
NOS3 P29474 3/20 0.35
NOS1 P29475 3/20 0.35
NOS2 P35228 3/20 0.35
BACE1 P56817 2/20 0.35
KRAS P01116 6/20 0.34
PIK3CD O00329 1/20 0.33
PRMT5 O14744 1/20 0.33
POLB P06746 1/20 0.31
AGPAT2 O15120 1/20 0.31

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
SCHEMBL22028956 1.00 HSP90AA1 (0.36) HSP90AA1HSP90AB1NOS3NOS1NOS2
SCHEMBL22655924 0.80 SMN1; SMN2 (0.46) HSP90AA1HSP90AB1POLB
SCHEMBL21733973 0.80 NOS2 (0.40) HSP90AA1HSP90AB1NOS3NOS1NOS2
SCHEMBL24272756 0.80 ALDH1A1 (0.33) HSP90AA1HSP90AB1
SCHEMBL24331214 0.80 BACE1 (0.34) HSP90AA1HSP90AB1NOS3NOS2BACE1
SCHEMBL24756842 0.80 HSP90AA1 (0.38) HSP90AA1HSP90AB1NOS3NOS1NOS2
SCHEMBL30415850 0.80 ALDH1A1 (0.33) HSP90AA1HSP90AB1
SCHEMBL22028950 0.77 HSP90AA1 (0.36) HSP90AA1HSP90AB1NOS3NOS1NOS2
SCHEMBL29851065 0.77 HSP90AA1 (0.36) HSP90AA1HSP90AB1NOS3NOS1NOS2
SCHEMBL23174470 0.77 LMNA (0.37) HSP90AA1HSP90AB1AGPAT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4716531-A2 HETEROCYCLIC COMPOUNDS AS NRAS INHIBITORS Board of Regents, The University of Texas System (US) 2026-04-01 EP disclosed
EP-4551577-A1 FUSED RING KRAS INHIBITORS FOR TREATING DISEASE Blossomhill Therapeutics, Inc. (US) 2025-05-14 EP disclosed
CN-119790058-A Fused cyclic KRAS inhibitors for the treatment of diseases 荣山医药股份有限公司 2025-04-08 CN disclosed
CN-119192133-A Synthesis of quinazoline compounds 基因泰克公司 2024-12-27 CN disclosed
CN-119192134-A Synthesis of quinazoline compounds 基因泰克公司 2024-12-27 CN disclosed
WO-2024243186-A2 HETEROCYCLIC COMPOUNDS AS NRAS INHIBITORS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2024-11-28 WO disclosed
CN-116057052-B Synthesis of quinazoline compounds 基因泰克公司 2024-09-03 CN disclosed
CN-118084867-A Condensed ring compound 豪夫迈·罗氏有限公司 2024-05-28 CN disclosed
CN-118084870-A Condensed ring compound 豪夫迈·罗氏有限公司 2024-05-28 CN disclosed
CN-118084866-A Condensed ring compound 豪夫迈·罗氏有限公司 2024-05-28 CN disclosed
CN-118084868-A Condensed ring compound 豪夫迈·罗氏有限公司 2024-05-28 CN disclosed
CN-112105419-B Condensed ring compound 豪夫迈·罗氏有限公司 2024-03-29 CN disclosed
EP-4322954-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT Merck Sharp & Dohme LLC (US) 2024-02-21 EP disclosed
WO-2024015262-A1 FUSED RING KRAS INHIBITORS FOR TREATING DISEASE BLOSSOMHILL THERAPEUTICS, INC. (US) 2024-01-18 WO disclosed
WO-2023173014-A1 KRAS INHIBITORS AND THEIR USE BLOSSOMHILL THERAPEUTICS, INC. (US) 2023-09-14 WO disclosed
CN-116057052-A Synthesis of quinazoline compounds 基因泰克公司 2023-05-02 CN disclosed
WO-2022221739-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT MERCK SHARP & DOHME CORP. (US) 2022-10-20 WO disclosed