SCHEMBL4554539

SCHEMBL4554539

CC(C)(C)N(CCNc1nc(-c2ccc(Cl)cc2Cl)cc2nccn12)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K2 Q12851 3/20 0.38
ALPL P05186 6/20 0.35
SHMT1 P34896 2/20 0.35
DPP4 P27487 1/20 0.35
SHMT2 P34897 1/20 0.35
EGLN2 Q96KS0 1/20 0.34
ALPG P10696 1/20 0.34
SYK P43405 3/20 0.33
CDC7 O00311 1/20 0.33
PLK4 O00444 1/20 0.33
DYRK3 O43781 1/20 0.33
ROCK2 O75116 1/20 0.33
PRKD3 O94806 1/20 0.33
MAP4K4 O95819 1/20 0.33
CDK1 P06493 1/20 0.33
CSF1R P07333 1/20 0.33
MET P08581 1/20 0.33
KIT P10721 1/20 0.33
PHKG2 P15735 1/20 0.33
CDK2 P24941 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
SCHEMBL3609534 0.84 MAP4K2 (0.40) MAP4K2ALPLDPP4EGLN2ALPG
SCHEMBL4553917 0.83 DPP4 (0.34) ALPLDPP4EGLN2SLC2A1
SCHEMBL10269994 0.82 IDO1 (0.41) MAP4K2
SCHEMBL3603979 0.81 ALPL (0.43) MAP4K2ALPLDPP4EGLN2ALPG
Trifluoroacetic Acid SCHEMBL3605360 0.81 DPP4 (0.38) MAP4K2ALPLDPP4EGLN2ALPG
SCHEMBL4555670 0.81 MAP4K2 (0.34) MAP4K2SYKCDC7PLK4DYRK3
SCHEMBL3608864 0.79 EGLN2 (0.41) MAP4K2ALPLDPP4EGLN2ALPG
SCHEMBL10270149 0.79 DPP4 (0.43) MAP4K2DPP4EGLN2GSK3B
SCHEMBL3613066 0.77 GSK3B (0.40) MAP4K2ALPLDPP4EGLN2ALPG
Trifluoroacetic Acid SCHEMBL9102535 0.76 DPP4 (0.35) MAP4K2ALPLDPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2137188-B1 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES Bayer Pharma AG (DE) 2012-06-06 EP disclosed
EP-2137188-A2 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES Bayer Schering Pharma Aktiengesellschaft (DE) 2009-12-30 EP disclosed
WO-2008113469-A2 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-09-25 WO disclosed