SCHEMBL4669015

SCHEMBL4669015

CC(I)NC(=S)Nc1ccc2ncc(Nc3cccc(C(F)(F)F)c3F)nc2n1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 13/20 0.39
MAPK1 P28482 8/20 0.39
ULK1 O75385 1/20 0.37
CNR2 P34972 1/20 0.37
MAPK8 P45983 9/20 0.36
MAPK9 P45984 9/20 0.36
MAPK10 P53779 9/20 0.36
EGFR P00533 1/20 0.36
IKBKB O14920 1/20 0.36
EPHX2 P34913 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
MAPK14 Q16539 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL4352254 0.85 PIK3CA (0.52) PIK3CAMAPK1MAPK8MAPK9MAPK10
SCHEMBL4350381 0.77 PIK3CA (0.67) PIK3CAMAPK1MAPK8MAPK9MAPK10
SCHEMBL4352259 0.76 PIK3CA (0.48) PIK3CAMAPK1MAPK8MAPK9MAPK10
SCHEMBL13517721 0.69 MEN1 (0.45) PIK3CAMAPK1MAPK8MAPK9MAPK10
SCHEMBL4345475 0.69 PIK3CA (0.58) PIK3CAMAPK1MAPK8MAPK9MAPK10
SCHEMBL13518820 0.68 PIK3CA (0.40) PIK3CAMAPK1MAPK8MAPK9MAPK10
SCHEMBL4350052 0.67 PIK3CA (0.54) PIK3CAMAPK1MAPK8MAPK9MAPK10
SCHEMBL4344990 0.66 PIK3CA (0.54) PIK3CAMAPK1MAPK8MAPK9MAPK10
SCHEMBL21497189 0.66 ULK1 (0.43) ULK1CNR2EGFRIKBKBEPHX2
SCHEMBL4346394 0.66 PIK3CA (0.64) PIK3CAMAPK1MAPK8MAPK9MAPK10

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-1990342-A1 Pyridopyrazine Derivatives, Process of Manufacturing and Uses thereof AEterna Zentaris GmbH (DE) 2008-11-12 EP disclosed