SCHEMBL559642

SCHEMBL559642

c1cn2nccc2cn1

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
Hydrochloric Acid SCHEMBL29571168 0.98 CYP2A6 (0.35)
Trifluoroacetic Acid SCHEMBL29674169 0.82 L3MBTL1 (0.39)
SCHEMBL29544377 0.80
SCHEMBL31682389 0.77
SCHEMBL31391 0.70
Hydrochloric Acid SCHEMBL30373752 0.68 ALOX15 (0.40)
Hydrochloric Acid SCHEMBL30373465 0.68 ALOX15 (0.40)
Iodide SCHEMBL29862219 0.68 MAP4K4 (0.38)
Ammonia Solution, Strong SCHEMBL5132265 0.68 MAP4K4 (0.38)
SCHEMBL31463743 0.67

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 479 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12545682-B2 Heterocyclic derivatives as P2X7 receptor antagonists BREYE THERAPEUTICS APS (DK) 2026-02-10 US claimed
US-20250313535-A1 ALPHA 4 BETA 7 INTEGRIN MODULATORS AND USES THEREOF DICE MOLECULES SV, INC. 2025-10-09 US claimed
EP-4522589-A1 ALPHA 4 BETA 7 INTEGRIN MODULATORS AND USES THEREOF Dice Molecules Sv, Inc. (US) 2025-03-19 EP claimed
EP-4262975-B1 HETEROCYCLIC DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS BREYE THERAPEUTICS APS (DK) 2025-03-05 EP claimed
CN-119562944-A Alpha 4 beta 7 integrin modulators and uses thereof 戴斯分子SV有限公司 2025-03-04 CN claimed
US-20250066318-A1 HETEROCYCLIC COMPOUNDS AS DYRK1A INHIBITORS PROTHENA BIOSCIENCES INC 2025-02-27 US claimed
US-20250051319-A1 COMPOUNDS AND USE THEREOF AS HDAC6 INHIBITORS AUGUSTINE THERAPEUTICS (BE) 2025-02-13 US claimed
EP-4313972-B1 INDOLINE DERIVATIVES AS DDRS INHIBITORS CHIESI FARM SPA (IT) 2025-01-29 EP claimed
CN-118843626-A Heterocyclic compounds as DYRK1A inhibitors 普罗塞纳生物科学有限公司 2024-10-25 CN claimed
EP-4444421-A2 HETEROCYCLIC COMPOUNDS AS DYRK1A INHIBITORS Prothena Biosciences Limited (IE) 2024-10-16 EP claimed
EP-2346335-B1 PYRAZOLE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS BASF SE (DE) 2018-11-14 EP claimed
US-8853125-B2 Pyrazole compounds for controlling invertebrate pests BASF SE (DE) 2014-10-07 US claimed
EP-2346335-A2 PYRAZOLE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS BASF SE (DE) 2011-07-27 EP claimed
US-20110173726-A1 Pyrazole Compounds for Controlling Invertebrate Pests BASF SE (DE) 2011-07-14 US claimed
WO-2010034738-A2 PYRAZOLE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS BASF SE (DE) 2010-04-01 WO claimed
US-7306631-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-12-11 US claimed
EP-1732509-A1 KERATIN DYEING COMPOSITIONS BICYCLIC 5-6 HETEROAROMATIC DYEING COMPOUNDS WITH ONE RING NITROGEN JUNCTION The Procter and Gamble Company (US) 2006-12-20 EP claimed
WO-2005097052-A1 KERATIN DYEING COMPOSITIONS BICYCLIC 5-6 HETEROAROMATIC DYEING COMPOUNDS WITH ONE RING NITROGEN JUNCTION THE PROCTER & GAMBLE COMPANY (US) 2005-10-20 WO claimed
US-20050229333-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-10-20 US claimed
US-4599300-A HIGH SPEED AND CONTRADISCOLORATION INHIBITION MITSUBISHI PAPER MILLS, LTD. (JP) 1986-07-08 US claimed