SCHEMBL13360732

SCHEMBL13360732

Cc1nc2c(c(=O)n1C(c1ccccc1)c1ccccc1)CN(C(=O)O)CC2

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTHFD2 P13995 4/20 0.46
LMNA P02545 1/20 0.37
PDE10A Q9Y233 3/20 0.37
KMT2A Q03164 2/20 0.36
PRLHR P49683 6/20 0.36
MGAT2 Q10469 1/20 0.36
CCR5 P51681 1/20 0.35

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
SCHEMBL13328897 0.89 CCR5 (0.44) MTHFD2PDE10APRLHRCCR5
SCHEMBL13328898 0.88 TSHR (0.45) MTHFD2LMNAKMT2ACCR5
SCHEMBL13328913 0.87 MGLL (0.47) MTHFD2LMNAPDE10APRLHR
SCHEMBL13328838 0.87 MTHFD2 (0.42) MTHFD2LMNAPDE10APRLHRCCR5
SCHEMBL13328836 0.86 MAPT (0.43) MTHFD2PDE10A
SCHEMBL13328906 0.85 PPARG (0.42) MTHFD2PDE10ACCR5
SCHEMBL13328919 0.85 KDR (0.47)
SCHEMBL13328918 0.85 MGLL (0.42) MTHFD2PDE10APRLHR
SCHEMBL13328901 0.85 PPARG (0.41) MTHFD2LMNACCR5
SCHEMBL13329561 0.84 KMT2A (0.42) MTHFD2KMT2ACCR5

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
WO-2008130584-A1 PYRIMIDINONE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2008-10-30 WO disclosed