SCHEMBL4732266

SCHEMBL4732266

CC(C)(C)OC(=O)N1CCC(C#Cc2cc3nccc(Oc4ccc(N(C(N)=O)C(=O)C5CC5)cc4F)c3s2)CC1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MET P08581 11/20 0.37
KDR P35968 8/20 0.37
MST1R Q04912 2/20 0.34
GPR119 Q8TDV5 4/20 0.33
IDO1 P14902 1/20 0.33
EGFR P00533 1/20 0.33
ERBB2 P04626 1/20 0.33
USP30 Q70CQ3 1/20 0.32
FGFR1 P11362 1/20 0.32
FGFR2 P21802 1/20 0.32
FGFR3 P22607 1/20 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
SCHEMBL4733630 0.90 MET (0.37) METKDRMST1RGPR119IDO1
SCHEMBL2282791 0.80 MET (0.48) METKDR
SCHEMBL12376903 0.78 MET (0.52) METKDRMST1REGFRERBB2
SCHEMBL2280904 0.72 MET (0.42) METKDRGPR119IDO1
SCHEMBL2287272 0.71 MET (0.48) METKDR
SCHEMBL2280815 0.70 MET (0.48) METKDR
SCHEMBL2282334 0.68 MET (0.36) METKDREGFRERBB2
SCHEMBL13167059 0.67 KDR (0.47) METKDRIDO1USP30
SCHEMBL15506047 0.67 KDR (0.42) METKDRFGFR1
SCHEMBL13166906 0.66 MET (0.46) METKDRMST1R

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-1989211-A2 HETEROBICYCLIC THIOPHENE COMPOUNDS FOR THE TREATMENT OF CANCER Array Biopharma, Inc. (US) 2008-11-12 EP disclosed
WO-2008063202-A2 HETEROBICYCLIC THIOPHENE COMPOUNDS FOR THE TREATMENT OF CANCER ARRAY BIOPHARMA INC. (US) 2008-05-29 WO disclosed