SCHEMBL2488058

SCHEMBL2488058

FC(F)(F)c1ccccc1-n1cnc2cncnc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.53
HCAR1 Q9BXC0 5/20 0.52
CYP3A4 P08684 9/20 0.43
CYP2C19 P33261 8/20 0.43
CYP1A2 P05177 8/20 0.43
CYP2D6 P10635 7/20 0.43
ALDH1A1 P00352 5/20 0.43
KMT2A Q03164 4/20 0.43
MAPK1 P28482 3/20 0.43
MEN1 O00255 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
LMNA P02545 2/20 0.43
CYP2C9 P11712 2/20 0.43
MAPT P10636 1/20 0.43
PMP22 Q01453 1/20 0.43
ALOX15 P16050 4/20 0.39
HSD17B10 Q99714 3/20 0.39
MKNK2 Q9HBH9 1/20 0.38
PI4KA P42356 1/20 0.36
PI4K2B Q8TCG2 1/20 0.36

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
SCHEMBL27695976 0.81 PI4KA (0.55) HCAR1CYP3A4CYP2C19CYP1A2ALDH1A1
SCHEMBL30677290 0.79 CYP1A2 (0.46) CYP3A4CYP2C19CYP1A2CYP2D6ALDH1A1
SCHEMBL6944930 0.78 PI4KA (0.55) POLBHCAR1CYP3A4CYP2C19CYP1A2
SCHEMBL29240138 0.75 PI4KA (0.57) POLBHCAR1CYP3A4CYP2C19CYP1A2
SCHEMBL28950114 0.74 SRC (0.44) HCAR1CYP3A4CYP2C19CYP1A2CYP2D6
SCHEMBL30025787 0.74 POLB (0.64) POLBHCAR1CYP3A4CYP2C19CYP1A2
SCHEMBL680855 0.73 FGFR1 (0.56) HCAR1CYP3A4CYP2C19CYP1A2ALDH1A1
SCHEMBL2194556 0.73 HCAR1 (0.54) POLBHCAR1CYP3A4CYP2C19CYP1A2
SCHEMBL28204981 0.73 POLB (0.43) POLBCYP3A4CYP2C19CYP1A2ALDH1A1
Hydrochloric Acid SCHEMBL4456679 0.72 FGFR1 (0.54) HCAR1CYP3A4CYP2C19CYP1A2ALDH1A1

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-2379555-A1 PURINE COMPOUNDS Eli Lilly and Company (US) 2011-10-26 EP claimed
WO-2010080306-A1 PURINE COMPOUNDS ELI LILLY AND COMPANY (US) 2010-07-15 WO claimed