SCHEMBL19945232

SCHEMBL19945232

CNc1cccc(-c2cccc3c2cnn3C)c1C#N

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.52
CD274 Q9NZQ7 1/20 0.52
CCR4 P51679 1/20 0.39
KDR P35968 1/20 0.38
JAK2 O60674 1/20 0.36
JAK3 P52333 1/20 0.36
PTK2 Q05397 1/20 0.36
TP53 P04637 1/20 0.36
CREBBP Q92793 1/20 0.35
CYP11B2 P19099 1/20 0.35
ABL1 P00519 1/20 0.35
TRPV1 Q8NER1 6/20 0.34
FAAH O00519 2/20 0.34
BCDIN3D Q7Z5W3 1/20 0.34
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
KMT2A Q03164 1/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 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
SCHEMBL30076252 0.81 PDCD1 (0.45) PDCD1CD274KDRCYP11B2ABL1
SCHEMBL19713024 0.81 PDCD1 (0.45) PDCD1CD274KDRCYP11B2ABL1
SCHEMBL8312915 0.78 CCR4 (0.55) CCR4TP53TRPV1MEN1USP2
SCHEMBL24312500 0.75 CCR4 (0.38) PDCD1CD274CCR4KDRJAK2
SCHEMBL18979729 0.71 PDCD1 (0.73) PDCD1CD274
SCHEMBL19897441 0.71 PDCD1 (0.74) PDCD1CD274KDRTRPV1
SCHEMBL19897446 0.71 PDCD1 (1.00) PDCD1CD274KDRABL1TRPV1
SCHEMBL15808426 0.70 IMPDH2 (0.43) CCR4TP53CYP11B2
SCHEMBL29282135 0.69 KDR (0.41) PDCD1CD274CCR4KDRJAK2
SCHEMBL31130330 0.67 CCR4 (0.50) CCR4KDRTP53TRPV1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3504198-B1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS INCYTE CORP (US) 2023-01-25 EP disclosed
EP-3943083-A1 SMALL-MOLECULE INHIBITOR OF PD-1/PD-L1, PHARMACEUTICAL COMPOSITION THEREOF WITH PD-L1 ANTIBODY, AND APPLICATION OF SAME Guangzhou Maxinovel Pharmaceuticals Co., Ltd. (CN) 2022-01-26 EP disclosed
WO-2018044783-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS INCYTE CORPORATION (US) 2018-03-08 WO disclosed