SCHEMBL30201528

SCHEMBL30201528

Cn1c(CNCCO)cnc1C(=O)Nc1cccc(-c2cccc3c2cnn3C)c1C#N

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 17/20 1.00
CD274 Q9NZQ7 17/20 1.00
KDR P35968 1/20 0.38
TRPV1 Q8NER1 1/20 0.34
ABL1 P00519 1/20 0.33

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
SCHEMBL19897446 1.00 PDCD1 (1.00) PDCD1CD274KDRTRPV1ABL1
SCHEMBL19897441 0.85 PDCD1 (0.74) PDCD1CD274KDRTRPV1
SCHEMBL30201399 0.85 PDCD1 (0.74) PDCD1CD274KDRTRPV1
SCHEMBL18979729 0.84 PDCD1 (0.73) PDCD1CD274
SCHEMBL19897432 0.82 PDCD1 (0.69) PDCD1CD274
SCHEMBL19897408 0.81 CD274 (0.69) PDCD1CD274
SCHEMBL19785839 0.79 PDCD1 (0.66) PDCD1CD274KDRTRPV1
SCHEMBL19779678 0.79 PDCD1 (0.66) PDCD1CD274KDRTRPV1
SCHEMBL29893697 0.79 PDCD1 (0.66) PDCD1CD274KDRTRPV1
SCHEMBL19897456 0.78 PDCD1 (0.64) 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
EP-3504198-B1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS INCYTE CORP (US) 2023-01-25 EP claimed