SCHEMBL19785505

SCHEMBL19785505

COc1cccc(-c2cccc(NC(=O)c3cc(CNCCO)c[nH]c3=O)c2C#N)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 7/20 0.47
PDCD1 Q15116 6/20 0.47
CDK4 P11802 1/20 0.40
CCND1 P24385 1/20 0.40
TTK P33981 1/20 0.39
ABL1 P00519 1/20 0.39
EGFR P00533 1/20 0.39
SRC P12931 1/20 0.39
ABL2 P42684 1/20 0.39
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL19785996 0.90 CD274 (0.49) CD274PDCD1
SCHEMBL19785504 0.87 PDCD1 (0.41) CD274PDCD1CDK4CCND1TTK
SCHEMBL29893975 0.85 CD274 (0.51) CD274PDCD1ABL1EGFRSRC
SCHEMBL19779553 0.85 CD274 (0.51) CD274PDCD1ABL1EGFRSRC
SCHEMBL19785820 0.82 PDCD1 (0.68) CD274PDCD1
SCHEMBL19785768 0.82 PDCD1 (0.43) CD274PDCD1
SCHEMBL19785839 0.79 PDCD1 (0.66) CD274PDCD1
SCHEMBL19785493 0.77 PDCD1 (0.52) CD274PDCD1
SCHEMBL19785961 0.75 CD274 (0.51) CD274PDCD1
SCHEMBL19780011 0.74 CD274 (0.54) 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-2018013789-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS INCYTE CORPORATION (US) 2018-01-18 WO disclosed