SCHEMBL30201399

SCHEMBL30201399

Cn1nc(C(=O)Nc2cccc(-c3cccc4c3cnn4C)c2C#N)cc1CNCCO

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 11/20 0.74
CD274 Q9NZQ7 11/20 0.74
KDR P35968 1/20 0.40
TRPV1 Q8NER1 8/20 0.37

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
SCHEMBL19897441 1.00 PDCD1 (0.74) PDCD1CD274KDRTRPV1
SCHEMBL18979729 0.86 PDCD1 (0.73) PDCD1CD274
SCHEMBL19897446 0.85 PDCD1 (1.00) PDCD1CD274KDRTRPV1
SCHEMBL30201528 0.85 PDCD1 (1.00) PDCD1CD274KDRTRPV1
SCHEMBL19897436 0.85 CD274 (0.53) PDCD1CD274
SCHEMBL19897444 0.82 PDCD1 (0.49) PDCD1CD274
SCHEMBL19897457 0.81 CD274 (0.50) PDCD1CD274
SCHEMBL19785839 0.81 PDCD1 (0.66) PDCD1CD274KDRTRPV1
SCHEMBL19779678 0.81 PDCD1 (0.66) PDCD1CD274KDRTRPV1
SCHEMBL29893697 0.81 PDCD1 (0.66) PDCD1CD274KDRTRPV1

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
EP-3504198-B1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS INCYTE CORP (US) 2023-01-25 EP claimed