SCHEMBL16005608

SCHEMBL16005608

CC(C)(NC(=O)Oc1cnc(-n2cccn2)nc1O)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 4/20 0.37
LMNA P02545 1/20 0.33
BCL6 P41182 1/20 0.32
NCOR2 Q9Y618 1/20 0.32
KDM4E B2RXH2 3/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2C19 P33261 2/20 0.32
CYP2D6 P10635 1/20 0.32
ADORA2A P29274 1/20 0.32
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.30
GRN P28799 1/20 0.30
SORT1 Q99523 1/20 0.30
HPGD P15428 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL2564810 0.90 EGLN1 (0.36) EGLN1LMNABCL6NCOR2KDM4E
SCHEMBL3435037 0.81 EGLN1 (0.45) EGLN1LMNABCL6NCOR2KDM4E
SCHEMBL14575605 0.81 BCL6 (0.35) EGLN1BCL6NCOR2KDM4ECYP1A2
SCHEMBL2575235 0.80 HSP90AA1 (0.46) EGLN1LMNAKDM4ECYP1A2CYP2C19
SCHEMBL2573169 0.77 NCEH1 (0.41)
SCHEMBL2560122 0.77 PORCN (0.42) EGLN1KDM4ECYP1A2CYP2C19CYP2D6
SCHEMBL2575436 0.76 ADORA2A (0.42) EGLN1ADORA2AALDH1A1
SCHEMBL2575184 0.76 RAB9A (0.41) EGLN1KDM4EKMT2AMEN1HPGD
SCHEMBL2561208 0.76 MEN1 (0.53) EGLN1KDM4ECYP1A2CYP2C19CYP2D6
SCHEMBL2577279 0.76 EGLN1 (0.33) EGLN1KDM4ECYP1A2CYP2C19CYP2D6

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-2257539-B1 SUBSTITUTED 4-HYDROXYPYRIMIDINE-5-CARBOXAMIDES MERCK SHARP & DOHME (US) 2014-09-10 EP disclosed