SCHEMBL16005776

SCHEMBL16005776

O=C(O)c1ccc(CNC(=O)c2cnc(-n3cccn3)nc2O)cc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 3/20 0.52
LMNA P02545 1/20 0.47
MERTK Q12866 3/20 0.47
PTGER4 P35408 3/20 0.43
NR1H4 Q96RI1 3/20 0.43
EPHX2 P34913 1/20 0.43
KMT2A Q03164 1/20 0.42
HPGDS O60760 1/20 0.41
FLT3 P36888 1/20 0.41
TYRO3 Q06418 1/20 0.41
GAS6 Q14393 1/20 0.41
PTGER2 P43116 1/20 0.41
CXCR4 P61073 1/20 0.41

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
SCHEMBL3408185 0.93 EGLN1 (0.52) EGLN1MERTKHPGDSFLT3TYRO3
SCHEMBL4527994 0.91 EGLN1 (0.64) EGLN1MERTKNR1H4EPHX2
SCHEMBL3404889 0.90 EGLN1 (0.48) EGLN1MERTKKMT2AFLT3TYRO3
SCHEMBL3407244 0.89 EGLN1 (0.51) EGLN1LMNAMERTKKMT2AFLT3
SCHEMBL3430237 0.89 EGLN1 (0.51) EGLN1MERTKKMT2AFLT3TYRO3
SCHEMBL3409246 0.89 EGLN1 (0.64) EGLN1LMNAMERTK
SCHEMBL16005726 0.88 EGLN1 (0.46) EGLN1LMNAMERTKPTGER4NR1H4
SCHEMBL4538093 0.88 EGLN1 (0.52) EGLN1LMNAMERTKPTGER4
SCHEMBL3404652 0.88 EGLN1 (0.56) EGLN1MERTKKMT2A
SCHEMBL4521549 0.87 EGLN1 (0.53) EGLN1MERTK

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 claimed