SCHEMBL19785841

SCHEMBL19785841

Cc1c(Br)cccc1NC(=O)c1cc(CNCCO)c[nH]c1=O

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 16/20 0.46
CD274 Q9NZQ7 16/20 0.46
KDR P35968 2/20 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
SCHEMBL19779435 0.81 PDCD1 (0.51) PDCD1CD274
SCHEMBL19785961 0.80 CD274 (0.51) PDCD1CD274
SCHEMBL19785959 0.79 PDCD1 (0.51) PDCD1CD274KDR
SCHEMBL19785837 0.78 KDR (0.46) KDR
SCHEMBL19785768 0.77 PDCD1 (0.43) PDCD1CD274KDR
SCHEMBL19785996 0.77 CD274 (0.49) PDCD1CD274KDR
SCHEMBL19785953 0.75 KDR (0.45) KDR
SCHEMBL21412231 0.74 PDCD1 (0.80) PDCD1CD274
SCHEMBL31096153 0.74 PDCD1 (0.80) PDCD1CD274
SCHEMBL19785505 0.73 CD274 (0.47) 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