SCHEMBL22296255

SCHEMBL22296255

C=CC(=O)NC1CN(C)CC1F

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGFR P00533 12/20 0.37
ERBB3 P21860 4/20 0.37
FGFR4 P22455 1/20 0.32
BTK Q06187 1/20 0.32
MAPK1 P28482 1/20 0.32
SSTR4 P31391 2/20 0.32
SSTR1 P30872 1/20 0.32
TEAD1 P28347 3/20 0.31

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
SCHEMBL17361131 0.79 FGFR4 (0.34) FGFR4TEAD1
SCHEMBL17361133 0.79 FGFR4 (0.34) FGFR4TEAD1
SCHEMBL21706978 0.79 EGFR (0.37) EGFRERBB3BTKTEAD1
SCHEMBL24928079 0.78 OGA (0.36) MAPK1SSTR4SSTR1
SCHEMBL10513011 0.78 OGA (0.36) MAPK1SSTR4SSTR1
SCHEMBL10513014 0.78 OGA (0.36) MAPK1SSTR4SSTR1
SCHEMBL29445632 0.77
SCHEMBL20326345 0.76 JAK3 (0.40) EGFRBTKMAPK1TEAD1
SCHEMBL20326578 0.71 TSHR (0.32) EGFRERBB3MAPK1TEAD1
SCHEMBL23690731 0.71

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-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
EP-3689871-A1 4,6,7-TRISUBSTITUTED 1,2-DIHYDROPYRROL[3,4-C]PYRIDIN/PYRIMIDIN-3-ONE DERIVATIVE AND USE Shanghai Haiyan Pharmaceutical Technology Co., Ltd. (CN) 2020-08-05 EP disclosed