SCHEMBL21245371

SCHEMBL21245371

CC1Cn2nnc(I)c2CN1C(=O)O

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
SCHEMBL19784974 0.81 MAP4K4 (0.34) —
SCHEMBL17925845 0.75 MAPT (0.32) —
SCHEMBL21958284 0.75 MAPT (0.32) —
SCHEMBL21986932 0.75 MAPT (0.32) —
SCHEMBL16701069 0.74 — —
SCHEMBL26645369 0.74 — —
SCHEMBL26645373 0.74 — —
SCHEMBL26645043 0.74 — —
SCHEMBL21058321 0.72 MAPT (0.34) —
SCHEMBL28912802 0.72 MAPT (0.34) —

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
CN-109476668-B 6, 7-dihydro-4H-pyrazolo [1,5-a ] pyrazines and 6, 7-dihydro-4H-triazolo [1,5-a ] pyrazines for the treatment of infectious diseases 豪夫迈·罗氏有限公司 2022-03-22 — — CN disclosed
US-10683299-B2 Pyrazolopyrazine and triazolopyrazine compounds for the treatment of infectious diseases HOFFMANN LA ROCHE INC. (US) 2020-06-16 — — US disclosed
EP-3484886-B1 6,7-DIHYDRO-4H-PYRAZOLO[1,5-A]PYRAZINE AND 6,7-DIHYDRO-4H-TRIAZOLO[1,5-A]PYRAZINE COMPOUNDS FOR THE TREATMENT OF INFECTIOUS DISEASES HOFFMANN LA ROCHE (CH) 2020-03-04 — — EP disclosed
US-20190248792-A1 NOVEL PYRAZOLOPYRAZINE AND TRIAZOLOPYRAZINE COMPOUNDS FOR THE TREATMENT OF INFECTIOUS DISEASES HOFFMANN-LA ROCHE INC. (US) 2019-08-15 — — US disclosed
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