SCHEMBL22164239

SCHEMBL22164239

CN(C(=O)O)C(C)(C)c1cc(N)[nH]n1

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
SCHEMBL14688334 0.73 KMT2A (0.37)
SCHEMBL15831730 0.71 CDK8 (0.33)
SCHEMBL22164238 0.69 LMNA (0.31)
SCHEMBL21847663 0.66 JAK2 (0.32)
SCHEMBL22164240 0.66
SCHEMBL12982738 0.63 HPGD (0.39)
SCHEMBL8372142 0.62 CYP19A1 (0.38)
SCHEMBL930682 0.61
SCHEMBL12270026 0.60
SCHEMBL27262221 0.60 MAPT (0.47)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230069963-A1 PYRAZOLO[1,5-A]PYRIMIDINE MACROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO., LTD. (JP) 2023-03-09 US disclosed
EP-3903788-A1 PYRAZOLO[1,5-A]PYRIMIDINE MACROCYCLIC COMPOUND Taisho Pharmaceutical Co., Ltd. (JP) 2021-11-03 EP disclosed
WO-2020138015-A1 PYRAZOLO[1,5-A]PYRIMIDINE MACROCYCLIC COMPOUND 大正製薬株式会社 2020-07-02 WO disclosed