SCHEMBL22675478

SCHEMBL22675478

COC(=O)c1ccc(CNC[C@@H]2CCC(=O)N2)cn1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 19/20 0.56
▸ PDCD1LG2 Q9BQ51 4/20 0.56
▸ PDCD1 Q15116 12/20 0.47
▸ PARP1 P09874 1/20 0.46

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
SCHEMBL31145840 0.86 CD274 (0.58) CD274PDCD1LG2PDCD1
SCHEMBL22675483 0.75 PARP1 (0.40) CD274PDCD1LG2PDCD1PARP1
SCHEMBL23198417 0.74 CD274 (0.54) CD274PDCD1LG2PDCD1
SCHEMBL25720163 0.73 MAPK1 (0.50) CD274PDCD1PARP1
SCHEMBL21507062 0.72 CD274 (1.00) CD274PDCD1LG2PDCD1
SCHEMBL1776816 0.72 CD274 (0.53) CD274PDCD1LG2PDCD1
SCHEMBL27717312 0.72 CD274 (0.53) CD274PDCD1LG2PDCD1
SCHEMBL24722594 0.72 CD274 (0.53) CD274PDCD1LG2PDCD1
SCHEMBL20312849 0.72 CD274 (0.57) CD274PDCD1PARP1
SCHEMBL24345978 0.71 CD274 (0.53) CD274PDCD1LG2PDCD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020228649-A1 SUBSTITUTED PHENYLPROPENYLPYRIDINE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 上海海雁医药科技有限公司 2020-11-19 — — WO disclosed
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