SCHEMBL23866132

SCHEMBL23866132

C=CC(=O)N1CCC(CP)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEAD1 P28347 6/20 0.49
TEAD3 Q99594 2/20 0.49
JAK3 P52333 5/20 0.40
JAK2 O60674 3/20 0.40
JAK1 P23458 2/20 0.40
TET3 O43151 3/20 0.38
KMT2A Q03164 3/20 0.38
FBXL19 Q6PCT2 3/20 0.38
CXXC5 Q7LFL8 3/20 0.38
KDM2B Q8NHM5 3/20 0.38
CXXC4 Q9H2H0 3/20 0.38
KDM2A Q9Y2K7 3/20 0.38
TET1 Q8NFU7 2/20 0.38
BTK Q06187 4/20 0.37
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
EGFR P00533 1/20 0.34
TEC P42680 1/20 0.34
BMX P51813 1/20 0.34
CD69 Q07108 1/20 0.34

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
SCHEMBL4578425 0.82 TEAD1 (0.50) TEAD1TEAD3JAK3JAK2JAK1
SCHEMBL4578429 0.82 TEAD1 (0.50) TEAD1TEAD3JAK3JAK2JAK1
SCHEMBL16671735 0.81 TEAD1 (0.49) TEAD1TEAD3JAK3JAK2JAK1
SCHEMBL17085551 0.81 TEAD1 (0.49) TEAD1TEAD3JAK3JAK2JAK1
SCHEMBL16030874 0.81 TEAD1 (0.56) TEAD1TEAD3JAK3JAK2JAK1
SCHEMBL18333367 0.79 TEAD1 (0.55) TEAD1TEAD3JAK3JAK2JAK1
SCHEMBL20839679 0.79 TEAD1 (0.51) TEAD1TEAD3JAK3JAK2JAK1
Hydrochloric Acid SCHEMBL25281152 0.79 TEAD1 (0.48) TEAD1TEAD3JAK3JAK2JAK1
SCHEMBL16285090 0.78 TEAD1 (0.47) TEAD1TEAD3JAK3JAK2JAK1
SCHEMBL18328751 0.78 TEAD1 (0.54) TEAD1TEAD3JAK3JAK2JAK1

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-3689871-B1 4,6,7-TRISUBSTITUTED 1,2-DIHYDROPYRROL[3,4-C]PYRIDIN/PYRIMIDIN-3-ONE DERIVATIVE AND USE SHANGHAI HAIYAN PHARMACEUTICAL TECH CO LTD (CN) 2021-09-29 EP disclosed