SCHEMBL4686091

SCHEMBL4686091

COc1ccc(N2Cc3cnc(N(C(=O)[C@@H](N)Cc4c[nH]c5ccccc45)c4ccccc4)nc3N(c3ccccc3)C2=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
PKM P14618 1/20 0.40
BCHE P06276 7/20 0.39
ACHE P22303 7/20 0.39
CCKAR P32238 3/20 0.38
CCKBR P32239 3/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 3/20 0.37
LMNA P02545 2/20 0.37
MEN1 O00255 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MPO P05164 1/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37
HIF1A Q16665 1/20 0.37
GHSR Q92847 2/20 0.37
DPP4 P27487 1/20 0.37

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
SCHEMBL4689937 0.86 FGFR4 (0.40) PKMALDH1A1KDM4EBLMMAPK1
SCHEMBL4690757 0.84 FGFR4 (0.39) PKMKDM4EBLMMAPK1HSD17B10
SCHEMBL4686754 0.83 EGFR (0.38) PKMKDM4EBLMMAPK1HSD17B10
Acetic Acid SCHEMBL4686845 0.83 FGFR4 (0.38) PKMKDM4EBLMMAPK1HSD17B10
SCHEMBL6212461 0.83 EGFR (0.38) MAPK1
Acetic Acid SCHEMBL4687570 0.82 EGFR (0.37) PKMKDM4EBLMMAPK1HSD17B10
SCHEMBL4686694 0.81 FGFR4 (0.39) PKMALDH1A1KDM4EBLMMAPK1
SCHEMBL4686744 0.80 FGFR4 (0.45) PKMALDH1A1KMT2AMEN1KDM4E
SCHEMBL4689939 0.79 FGFR4 (0.44) PKMKMT2AMEN1KDM4ETSHR
SCHEMBL4689961 0.79 FGFR4 (0.42) PKMALDH1A1KDM4EBLMMAPK1

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-1556384-B1 PYRIMIDO COMPOUNDS HAVING ANTIPROLIFERATIVE ACTIVITY HOFFMANN LA ROCHE (CH) 2008-02-20 EP claimed