SCHEMBL4790457

SCHEMBL4790457

CC(C)COc1cc(N)nc2c1CN(c1ccccc1F)C=C2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.38
KCNH2 Q12809 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
TP53 P04637 2/20 0.32
MAPT P10636 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
KDM4E B2RXH2 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
C5AR1 P21730 2/20 0.32
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
FLT3 P36888 1/20 0.31
MPO P05164 1/20 0.31
SLC16A3 O15427 1/20 0.31
SLC16A1 P53985 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL4758804 0.86 TLR8 (0.39) TLR8TP53MAPTKDM4ERAB9A
SCHEMBL4759285 0.84 TLR8 (0.34) TLR8ALDH1A1GAANOS3NOS1
SCHEMBL4758878 0.84 TLR8 (0.34) TLR8KCNH2TMEM97SIGMAR1MAPT
SCHEMBL4759492 0.70 MCHR1 (0.33) TLR8KCNH2TMEM97SIGMAR1
SCHEMBL4796924 0.69 MEN1 (0.34) TLR8MAPTALDH1A1GAAKDM4E
SCHEMBL4786263 0.65 DCK (0.32)
SCHEMBL10314839 0.62 L3MBTL1 (0.52) TLR8ALDH1A1GAAKDM4EKMT2A
SCHEMBL4796617 0.61 DHFR (0.34) KCNH2SMN1; SMN2MPO
SCHEMBL15698481 0.57 KDM4E (0.40) MAPTALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL5521558 0.57 L3MBTL1 (0.49) KCNH2ALDH1A1GAAKDM4EKMT2A

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-1899332-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C. GILEAD SCIENCES, INC. (US) 2008-03-19 EP disclosed
WO-2006135993-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C. GILEAD SCIENCES, INC. (US) 2006-12-28 WO disclosed