SCHEMBL20538532

SCHEMBL20538532

CC(C(=O)Nc1cnc(-n2cccn2)nc1O)c1ccc(P(=O)(O)O)cc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
EGLN1 Q9GZT9 6/20 0.35
MAPK1 P28482 2/20 0.34
ELOVL1 Q9BW60 2/20 0.33
RAB9A P51151 2/20 0.33
MAPT P10636 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KDM4E B2RXH2 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP2D6 P10635 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
KCNH2 Q12809 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL20538664 0.91 FFAR2 (0.38) EGLN1MEN1KMT2A
SCHEMBL2566721 0.88 POLB (0.45) POLBEGLN1MAPK1ELOVL1RAB9A
SCHEMBL20538520 0.88 KMT2A (0.38) POLBEGLN1MAPK1KDM4ECYP1A2
SCHEMBL14809015 0.87 MAPK1 (0.33) POLBEGLN1MAPK1RAB9AMAPT
SCHEMBL20538380 0.81 EGLN1 (0.36) EGLN1ELOVL1NPSR1KDM4ECYP1A2
SCHEMBL14809017 0.80 EGLN1 (0.52) EGLN1MAPK1KDM4EALDH1A1KCNH2
SCHEMBL14809230 0.80 EGLN1 (0.52) EGLN1MAPK1KDM4EALDH1A1KCNH2
SCHEMBL14809016 0.80 EGLN1 (0.52) EGLN1MAPK1KDM4EALDH1A1KCNH2
SCHEMBL14809083 0.79 FFAR2 (0.35) EGLN1MAPK1KDM4ECYP1A2CYP2C19
SCHEMBL2561322 0.78 LMNA (0.45) EGLN1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2758059-B1 SUBSTITUTED PYRIMIDINES MERCK SHARP & DOHME (US) 2018-10-24 EP claimed