SCHEMBL13625189

SCHEMBL13625189

CC(C)(C)OC(=O)N1CCC(C(=O)N2CCN(c3cnc(N)c(-c4nc5ccccc5o4)c3)CC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MET P08581 14/20 0.52
PIK3CA P42336 1/20 0.42
AXL P30530 1/20 0.42
SMARCA2 P51531 1/20 0.42
SMARCA4 P51532 1/20 0.42
PBRM1 Q86U86 1/20 0.42
KCNH2 Q12809 1/20 0.41
GPR119 Q8TDV5 1/20 0.41

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
SCHEMBL13625199 0.85 MET (0.54) METKCNH2
SCHEMBL13625185 0.83 MET (0.43) METPIK3CASMARCA2SMARCA4PBRM1
SCHEMBL13625203 0.80 MET (0.47) METKCNH2
SCHEMBL13625191 0.79 MET (0.50) METAXL
SCHEMBL2385009 0.78 MET (0.83) METKCNH2
SCHEMBL13625187 0.78 MET (0.61) MET
SCHEMBL2387171 0.78 MET (0.63) METAXLKCNH2
SCHEMBL2387685 0.77 MET (0.65) METAXLKCNH2
SCHEMBL2384201 0.77 AXL (0.73) METAXLKCNH2
SCHEMBL2388627 0.77 MET (0.62) METAXLKCNH2

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
WO-2009139576-A2 PYRIDINE DERIVATIVES SUBSTITUTED WITH NOVEL BENZOXAZOLES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS ACTIVE INGREDIENTS FOR PREVENTION AND TREATMENT OF ABNORMAL CELL GROWTH DISEASE 한국화학연구원 (KR) 2009-11-19 WO disclosed