SCHEMBL3934370

SCHEMBL3934370

O=C(O)c1cccnc1C(F)(F)C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 2/20 0.55
KDM4E B2RXH2 4/20 0.53
TDP1 Q9NUW8 2/20 0.53
ALDH1A1 P00352 6/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
CYP3A4 P08684 2/20 0.52
ALOX15 P16050 2/20 0.52
MAPT P10636 1/20 0.52
TSHR P16473 1/20 0.52
BLM P54132 1/20 0.52
AGER Q15109 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
LMNA P02545 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
DHODH Q02127 6/20 0.44
KDM6B O15054 1/20 0.44
KDM6A O15550 1/20 0.44
TET3 O43151 1/20 0.44
KDM4A O75164 1/20 0.44
KDM4B O94953 1/20 0.44

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
SCHEMBL413572 0.85 NAPRT (0.58) NAPRTKDM4ETDP1ALDH1A1L3MBTL1
SCHEMBL29488337 0.85 NAPRT (0.58) NAPRTKDM4ETDP1ALDH1A1L3MBTL1
SCHEMBL13145634 0.78 KDM4E (0.57) NAPRTKDM4ETDP1ALDH1A1L3MBTL1
SCHEMBL126701 0.77 LMNA (0.45) NAPRTKDM4ETDP1ALDH1A1L3MBTL1
Trifluoroacetic Acid SCHEMBL5691131 0.73 KDM4E (0.78) NAPRTKDM4ETDP1ALDH1A1L3MBTL1
SCHEMBL107538 0.72 NAPRT (0.67) NAPRTKDM4ETDP1ALDH1A1L3MBTL1
SCHEMBL29514689 0.72 NAPRT (0.67) NAPRTKDM4ETDP1ALDH1A1L3MBTL1
SCHEMBL22835349 0.72 KDM4E (0.50) NAPRTKDM4ETDP1ALDH1A1L3MBTL1
SCHEMBL28065704 0.72 KDM4E (0.50) NAPRTKDM4ETDP1ALDH1A1L3MBTL1
SCHEMBL14529544 0.72 KDM4E (0.50) NAPRTKDM4ETDP1ALDH1A1L3MBTL1

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-2044050-A1 NEW PYRIDINE ANALOGUES Astra Zeneca AB (SE) 2009-04-08 EP disclosed
WO-2008004946-A1 NEW PYRIDINE ANALOGUES ASTRAZENECA AB (SE) 2008-01-10 WO disclosed