SCHEMBL20911501

SCHEMBL20911501

C#Cc1ccc(C=O)c(OCc2cncc(C#N)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 18/20 0.42
PDCD1 Q15116 16/20 0.42

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
SCHEMBL20911400 0.85 PDCD1 (0.43) CD274PDCD1
SCHEMBL24253043 0.85 CD274 (0.43) CD274PDCD1
SCHEMBL24253020 0.84 CD274 (0.44) CD274PDCD1
SCHEMBL24252547 0.84 CD274 (0.46) CD274PDCD1
SCHEMBL24252517 0.82 CYP19A1 (0.42) CD274PDCD1
SCHEMBL25701719 0.78 CCR5 (0.47) CD274PDCD1
SCHEMBL23948775 0.77 CD274 (0.48) CD274PDCD1
SCHEMBL25231996 0.76 PDCD1 (0.43) CD274PDCD1
SCHEMBL25232651 0.76 CD274 (0.41) CD274PDCD1
SCHEMBL24252542 0.76 CD274 (0.44) CD274PDCD1

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-2019074241-A1 INHIBITOR AGAINST INTERACTION BETWEEN PD-1 AND PD-L1, COMPRISING PHENYLACETYLENE DERIVATIVE 정원혁 2019-04-18 WO disclosed