SCHEMBL28569824

SCHEMBL28569824

CCOC(=O)c1cc(NC(=O)c2ccc(C)cc2)n(Cc2ccc(C(=O)OC(C)(C)C)cc2)n1

nearest known ligand 0.60

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 20/20 0.60

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
SCHEMBL28914475 0.88 P2RY14 (0.70) P2RY14
SCHEMBL28574359 0.87 P2RY14 (0.78) P2RY14
SCHEMBL28570837 0.87 P2RY14 (0.63) P2RY14
SCHEMBL28563307 0.87 P2RY14 (0.77) P2RY14
SCHEMBL28577413 0.79 P2RY14 (0.51) P2RY14
SCHEMBL1256757 0.79 HDAC3 (0.42)
SCHEMBL28568795 0.78 P2RY14 (0.55) P2RY14
SCHEMBL28571458 0.77 P2RY14 (0.87) P2RY14
SCHEMBL28572661 0.75 P2RY14 (1.00) P2RY14
SCHEMBL28566528 0.74 P2RY14 (1.00) P2RY14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111423377-B 5-amino-1H-pyrazole derivative, preparation method and medical application 中国药科大学 2021-06-01 CN disclosed
CN-111423377-A 5-amino-1H-pyrazole derivative, preparation method and medical application 中国药科大学 2020-07-17 CN disclosed