SCHEMBL29488173

SCHEMBL29488173

CC(C)Oc1ccc(-c2ncc3c(=O)[nH][nH]c3n2)cc1C#N

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
XDH P47989 15/20 1.00
S1PR1 P21453 1/20 0.44

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
SCHEMBL29488178 0.88 XDH (1.00) XDH
SCHEMBL29488181 0.86 XDH (1.00) XDH
SCHEMBL29488176 0.84 XDH (0.80) XDH
SCHEMBL29488175 0.81 XDH (0.72) XDH
SCHEMBL29488179 0.81 XDH (1.00) XDH
SCHEMBL29488170 0.81 XDH (1.00) XDH
SCHEMBL29488180 0.79 XDH (1.00) XDH
SCHEMBL29488174 0.79 XDH (1.00) XDH
SCHEMBL29488171 0.79 XDH (1.00) XDH
SCHEMBL29488177 0.79 XDH (1.00) XDH

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
CN-112778318-B Pyrimidopyrazole derivatives for inhibiting xanthine oxidase activity, and preparation method and application thereof 沈阳药科大学 2022-03-25 CN claimed
CN-120037237-A Application of pyrimidopyrazoles derivatives in treatment of postmenopausal osteoporosis 中国医科大学附属第一医院 2025-05-27 CN disclosed
CN-112778318-B Pyrimidopyrazole derivatives for inhibiting xanthine oxidase activity, and preparation method and application thereof 沈阳药科大学 2022-03-25 CN disclosed