SCHEMBL4733630

SCHEMBL4733630

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

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MET P08581 11/20 0.37
KDR P35968 7/20 0.37
GPR119 Q8TDV5 5/20 0.33
SCN9A Q15858 1/20 0.33
MST1R Q04912 2/20 0.33
IDO1 P14902 1/20 0.32
FAAH O00519 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
SCHEMBL4732266 0.90 MET (0.37) METKDRGPR119MST1RIDO1
SCHEMBL2287272 0.81 MET (0.48) METKDR
SCHEMBL2280815 0.75 MET (0.48) METKDR
SCHEMBL2282791 0.71 MET (0.48) METKDR
SCHEMBL2280904 0.71 MET (0.42) METKDRGPR119IDO1
SCHEMBL26015597 0.70 MET (0.51) METGPR119SCN9A
SCHEMBL2285176 0.69 MET (0.41) METKDR
SCHEMBL13166940 0.69 CHEK2 (0.46) METKDRGPR119MST1R
SCHEMBL12376903 0.68 MET (0.52) METKDRMST1R
SCHEMBL12411907 0.67 MET (0.51) METKDR

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