SCHEMBL6207773

SCHEMBL6207773

COc1ccc(NC(=O)N[C@H](C)CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc1CCc1cnc(Cl)nc1Cl

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.37
C5 P01031 2/20 0.37
FPR2 P25090 1/20 0.36
LMNA P02545 1/20 0.36
ATM Q13315 1/20 0.36
GNRHR P30968 5/20 0.35
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HPGD P15428 1/20 0.34
MALT1 Q9UDY8 1/20 0.34
IGF1R P08069 1/20 0.34
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 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
SCHEMBL6205153 0.75 SMN1; SMN2 (0.35) LMNAALDH1A1MAPTKMT2A
SCHEMBL5795287 0.73 SMN1; SMN2 (0.38) LMNAKDM4EALDH1A1MEN1MAPT
SCHEMBL5831107 0.72 PTK2 (0.42) MAPT
SCHEMBL4707388 0.69 MAPK14 (0.35) LMNAMEN1MAPTKMT2A
SCHEMBL4757853 0.69 MAPK14 (0.35) LMNAMEN1MAPTKMT2A
SCHEMBL4707014 0.69 MAPK14 (0.35) LMNAMEN1MAPTKMT2A
SCHEMBL4757107 0.69 MAPK14 (0.35) LMNAMEN1MAPTKMT2A
SCHEMBL4707017 0.69 MAPK14 (0.35) LMNAMEN1MAPTKMT2A
SCHEMBL23925527 0.64 LMNA (0.38) LMNAKDM4EALDH1A1HPGDMEN1
SCHEMBL15633603 0.63 PIN1 (0.36) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1560832-A1 PYRIMIDO 4,5-D PYRIMIDINE DERIVATIVES WITH ANTICANCER ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2005-08-10 EP disclosed
WO-2004041822-A1 PYRIMIDO[4,5-D]PYRIMIDINE DERIVATIVES WITH ANTICANCER ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2004-05-21 WO disclosed