SCHEMBL3408985

SCHEMBL3408985

COc1ccc([C@](C)(I)NC(=O)c2cnc(-n3cccn3)nc2O)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
EGLN1 Q9GZT9 6/20 0.44
KCNH2 Q12809 1/20 0.44
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
KDM4E B2RXH2 3/20 0.40
HPGD P15428 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CYP2D6 P10635 1/20 0.36
PDE2A O00408 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4D Q08499 1/20 0.34
KAT6A Q92794 2/20 0.33
IRAK4 Q9NWZ3 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
SCHEMBL3406588 0.80 EGLN1 (0.66) MEN1KMT2AEGLN1KCNH2CYP1A2
SCHEMBL3409150 0.79 EGLN1 (0.56) EGLN1
SCHEMBL3410878 0.79 EGLN1 (0.63) EGLN1
SCHEMBL4525793 0.79 EGLN1 (0.66) MEN1KMT2AEGLN1KCNH2CYP1A2
SCHEMBL3409230 0.79 EGLN1 (0.55) EGLN1KDM4EALDH1A1PDE2A
SCHEMBL3435037 0.78 EGLN1 (0.45) MEN1KMT2AEGLN1CYP1A2CYP2C19
SCHEMBL3404173 0.77 EGLN1 (0.43) EGLN1CYP1A2CYP2C19KDM4EMAPT
SCHEMBL14812785 0.77 EGLN1 (0.52) MEN1KMT2AEGLN1KCNH2CYP1A2
SCHEMBL4530398 0.76 EGLN1 (0.50) EGLN1PDE2AKAT6A
SCHEMBL12288011 0.76 KMT2A (0.57) MEN1KMT2AEGLN1KCNH2CYP1A2

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-2257539-A1 SUBSTITUTED 4-HYDROXYPYRIMIDINE-5-CARBOXAMIDES Merck Sharp & Dohme Corp. (US) 2010-12-08 EP disclosed
WO-2009117269-A1 SUBSTITUTED 4-HYDROXYPYRIMIDINE-5-CARBOXAMIDES MERCK & CO., INC. (US) 2009-09-24 WO disclosed