SCHEMBL31336083

SCHEMBL31336083

CN(C)C/C=C/C(=O)Nc1ccc2c(c1)CN(C(=O)O)CC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.46
▸ JAK3 P52333 3/20 0.46
▸ JAK2 O60674 2/20 0.46
▸ JAK1 P23458 2/20 0.46
▸ TYK2 P29597 2/20 0.46
▸ FLT3 P36888 2/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.43
▸ ACKR3 P25106 1/20 0.42
▸ NPC1 O15118 3/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ CCNK O75909 2/20 0.41
▸ CDK12 Q9NYV4 2/20 0.41
▸ EGFR P00533 3/20 0.40
▸ TMPRSS2 O15393 2/20 0.40
▸ ITK Q08881 1/20 0.40
▸ ERBB2 P04626 1/20 0.39
▸ PIP4K2A P48426 2/20 0.39
▸ PIP4K2B P78356 2/20 0.39
▸ CCNC P24863 1/20 0.39
▸ CDK8 P49336 1/20 0.39

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
SCHEMBL31335825 0.86 NR1H2 (0.53) KDM4EJAK3JAK2JAK1TYK2
SCHEMBL31335769 0.83 JAK3 (0.44) KDM4EJAK3JAK2JAK1TYK2
SCHEMBL31335547 0.83 JAK2 (0.44) KDM4EJAK3JAK2JAK1TYK2
SCHEMBL25212858 0.79 FLT3 (0.41) KDM4EJAK3JAK2JAK1TYK2
SCHEMBL30377587 0.79 FLT3 (0.41) KDM4EJAK3JAK2JAK1TYK2
SCHEMBL31335904 0.76 MELK (0.50) ITK
Hydrochloric Acid SCHEMBL31335956 0.76 ITGB3 (0.50) —
SCHEMBL20873104 0.74 NAMPT (0.47) KDM4ENPC1RAB9ATMPRSS2LMNA
SCHEMBL20873101 0.74 NAMPT (0.47) KDM4ENPC1RAB9ATMPRSS2LMNA
SCHEMBL31176413 0.72 JAK3 (0.45) JAK3JAK2JAK1TYK2FLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4720038-A1 (HETERO)ARYL-CARBONYL-HETEROBICYCLIC COMPOUNDS AS INHIBITORS OF PMS2 FOR CANCER AND DEGENERATIVE ILLNESSES Neophore Limited (GB) 2026-04-08 — — EP disclosed
WO-2024246496-A1 (HETERO)ARYL-CARBONYL-HETEROBICYCLIC COMPOUNDS AS INHIBITORS OF PMS2 FOR CANCER AND DEGENERATIVE ILLNESSES Neophore Limited (GB) 2024-12-05 — — WO disclosed
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