SCHEMBL19785959

SCHEMBL19785959

Cc1c(NC(=O)c2cc(CNCCO)c[nH]c2=O)cccc1-c1cccc2c1cnn2C

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 19/20 0.51
CD274 Q9NZQ7 19/20 0.51
KDR P35968 1/20 0.41

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
SCHEMBL19785839 0.89 PDCD1 (0.66) PDCD1CD274KDR
SCHEMBL19779691 0.87 PDCD1 (0.52) PDCD1CD274KDR
SCHEMBL29893705 0.87 PDCD1 (0.52) PDCD1CD274KDR
SCHEMBL23265382 0.85 PDCD1 (0.50) PDCD1CD274KDR
SCHEMBL19785841 0.79 PDCD1 (0.46) PDCD1CD274KDR
SCHEMBL19785961 0.78 CD274 (0.51) PDCD1CD274
SCHEMBL19779678 0.76 PDCD1 (0.66) PDCD1CD274KDR
SCHEMBL29893697 0.76 PDCD1 (0.66) PDCD1CD274KDR
SCHEMBL19785996 0.72 CD274 (0.49) PDCD1CD274KDR
SCHEMBL18979729 0.71 PDCD1 (0.73) PDCD1CD274

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-2018013789-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS INCYTE CORPORATION (US) 2018-01-18 WO disclosed