SCHEMBL20334385

SCHEMBL20334385

C=CC(=O)N1CCN(C)CC1C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.33
AGTR2 P50052 2/20 0.32
ACE P12821 1/20 0.32
KMT2A Q03164 1/20 0.30
JAK3 P52333 1/20 0.30
SRC P12931 1/20 0.30

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
SCHEMBL21794806 0.85
SCHEMBL25411860 0.80 ATM (0.37) ATMAGTR2ACE
SCHEMBL27128389 0.80 ATM (0.37) ATMAGTR2ACE
SCHEMBL27284170 0.79 AGTR2 (0.36) AGTR2ACE
SCHEMBL20314977 0.79 CACNA1A (0.36) AGTR2ACESRC
SCHEMBL21610061 0.79 JAK3 (0.36) JAK3SRC
SCHEMBL20161664 0.79 JAK3 (0.36) JAK3SRC
SCHEMBL24476768 0.79 JAK3 (0.36) JAK3SRC
SCHEMBL14849286 0.78 ATM (0.48) ATMAGTR2ACEKMT2A
SCHEMBL22128407 0.76 SRC (0.36) ACESRC

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-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
WO-2018119183-A2 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. (US) 2018-06-28 WO disclosed