SCHEMBL23735765

SCHEMBL23735765

C=CC(=O)N1CCN(C)C(F)C1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TET3 O43151 3/20 0.34
KMT2A Q03164 3/20 0.34
FBXL19 Q6PCT2 3/20 0.34
CXXC5 Q7LFL8 3/20 0.34
KDM2B Q8NHM5 3/20 0.34
CXXC4 Q9H2H0 3/20 0.34
KDM2A Q9Y2K7 3/20 0.34
TET1 Q8NFU7 2/20 0.34
TEAD1 P28347 7/20 0.33
JAK3 P52333 7/20 0.33
BTK Q06187 3/20 0.32

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
SCHEMBL22970007 0.79 CHRM1 (0.42) JAK3BTK
SCHEMBL20334409 0.79 JAK3 (0.33) TET3KMT2AFBXL19CXXC5KDM2B
SCHEMBL19909714 0.79 CHRM1 (0.42) JAK3BTK
SCHEMBL22704583 0.79 CHRM1 (0.42) JAK3BTK
SCHEMBL23323368 0.79 JAK3 (0.35) TEAD1JAK3BTK
SCHEMBL21741246 0.77 TEAD1 (0.36) TEAD1JAK3BTK
SCHEMBL23278104 0.77 TEAD1 (0.34) TEAD1JAK3BTK
SCHEMBL20314874 0.77 TEAD1 (0.36) TET3KMT2AFBXL19CXXC5KDM2B
SCHEMBL20161816 0.76 CYP1A2 (0.36) TEAD1JAK3BTK
SCHEMBL20326344 0.76 JAK3 (0.33) TEAD1JAK3BTK

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-3558955-B1 BENZISOTHIAZOLE, ISOTHIAZOLO[3,4-B]PYRIDINE, QUINAZOLINE, PHTHALAZINE, PYRIDO[2,3-D]PYRIDAZINE AND PYRIDO[2,3-D]PYRIMIDINE DERIVATIVES AS KRAS G12C INHIBITORS FOR TREATING LUNG, PANCREATIC OR COLORECTAL CANCER AMGEN INC (US) 2021-08-11 EP disclosed