SCHEMBL28563307

SCHEMBL28563307

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

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 19/20 0.77
SMN1; SMN2 Q16637 1/20 0.55

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 0.91 P2RY14 (0.70) P2RY14
SCHEMBL28574359 0.90 P2RY14 (0.78) P2RY14
SCHEMBL28570837 0.90 P2RY14 (0.63) P2RY14
SCHEMBL28566528 0.87 P2RY14 (1.00) P2RY14
SCHEMBL28569824 0.87 P2RY14 (0.60) P2RY14
SCHEMBL28582983 0.85 P2RY14 (0.56) P2RY14SMN1; SMN2
SCHEMBL28576256 0.85 P2RY14 (0.78) P2RY14SMN1; SMN2
SCHEMBL28566440 0.82 P2RY14 (0.52) P2RY14SMN1; SMN2
SCHEMBL28576338 0.82 P2RY14 (0.54) P2RY14SMN1; SMN2
SCHEMBL28577421 0.80 P2RY14 (1.00) P2RY14SMN1; SMN2

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