SCHEMBL4391908

SCHEMBL4391908

COc1ccc(C(=O)NC2CCCCn3c2nc(-c2ccncc2)cc3=O)c(OC)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
HPGD P15428 2/20 0.37
TSHR P16473 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HSD17B10 Q99714 2/20 0.37
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
GSK3B P49841 7/20 0.35
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CGAS Q8N884 1/20 0.35
CYP2D6 P10635 4/20 0.34
RIPK1 Q13546 1/20 0.34
CDC7 O00311 1/20 0.33
DYRK3 O43781 1/20 0.33
ROCK2 O75116 1/20 0.33
MAP4K4 O95819 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
SCHEMBL4381292 0.89 GSK3B (0.41) MEN1KMT2ARAB9ANPC1GSK3B
SCHEMBL4952879 0.89 MEN1 (0.47) MEN1KMT2AALDH1A1CGAS
SCHEMBL3402354 0.87 RAB9A (0.36) MEN1KMT2ARAB9ANPC1HPGD
SCHEMBL3655065 0.87 GSK3B (0.42) MEN1KMT2ARAB9ANPC1HPGD
SCHEMBL4387202 0.86 GSK3B (0.41) MEN1KMT2ARAB9ANPC1GSK3B
SCHEMBL4383616 0.86 MEN1 (0.47) MEN1KMT2AALDH1A1PRKACAROCK1
SCHEMBL2065165 0.84 TSHR (0.42) MEN1KMT2ARAB9ANPC1HPGD
SCHEMBL2065962 0.84 KMT2A (0.46) MEN1KMT2ATSHRALDH1A1GSK3B
SCHEMBL2065579 0.84 GSK3B (0.46) MEN1KMT2AALDH1A1GSK3BCYP2D6
SCHEMBL2066082 0.84 CRBN (0.47) MEN1KMT2ARAB9AHPGDALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121635-A2 SUBSTITUTED HETEROARYL PYRIDOPYRIMIDONE DERIVATIVES Sanofi-Aventis (FR) 2009-11-25 EP claimed
WO-2008078196-A2 SUBSTITUTED HETEROARYL PYRIDOPYRIMIDONE DERIVATIVES SANOFI-AVENTIS (FR) 2008-07-03 WO claimed
EP-1939187-A1 Substituted heteroaryl pyridopyrimidone derivatives Sanofi-Aventis (FR) 2008-07-02 EP claimed
EP-2121635-A2 SUBSTITUTED HETEROARYL PYRIDOPYRIMIDONE DERIVATIVES Sanofi-Aventis (FR) 2009-11-25 EP disclosed
WO-2008078196-A2 SUBSTITUTED HETEROARYL PYRIDOPYRIMIDONE DERIVATIVES SANOFI-AVENTIS (FR) 2008-07-03 WO disclosed
EP-1939187-A1 Substituted heteroaryl pyridopyrimidone derivatives Sanofi-Aventis (FR) 2008-07-02 EP disclosed