SCHEMBL2772066

SCHEMBL2772066

CN(CCNc1cc(N2CCCC2)nc(N2CCCC2)n1)CCN(C(N)=S)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.49
KMT2A Q03164 6/20 0.49
GAA P10253 6/20 0.49
MEN1 O00255 5/20 0.49
APAF1 O14727 5/20 0.49
SENP7 Q9BQF6 4/20 0.49
SENP6 Q9GZR1 4/20 0.49
LMNA P02545 3/20 0.49
SENP8 Q96LD8 3/20 0.49
NSD2 O96028 2/20 0.49
CASP3 P42574 2/20 0.49
SAE1 Q9UBE0 2/20 0.49
UBA2 Q9UBT2 2/20 0.49
KDM4E B2RXH2 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
CASP1 P29466 2/20 0.44
CASP4 P49662 2/20 0.44
CASP5 P51878 2/20 0.44
THRB P10828 1/20 0.41
GALK1 P51570 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
SCHEMBL2790273 0.91 MAPT (0.43) MAPTKMT2AGAAMEN1APAF1
SCHEMBL2774430 0.89 MAPT (0.40) MAPTKMT2AGAAMEN1APAF1
SCHEMBL2771590 0.87 HRH4 (0.38) MAPTKMT2AGAAMEN1APAF1
SCHEMBL2774620 0.86 HRH4 (0.38) MAPTKMT2AGAAMEN1APAF1
SCHEMBL2772675 0.86 GAA (0.46) MAPTGAAAPAF1SENP7SENP6
SCHEMBL2771555 0.86 MAPT (0.47) MAPTKMT2AGAAMEN1APAF1
SCHEMBL2773159 0.86 MAPT (0.35) MAPTKMT2AGAAMEN1APAF1
SCHEMBL2773440 0.86 HRH4 (0.40) MAPTKMT2AGAAMEN1APAF1
SCHEMBL2771103 0.85 HRH4 (0.38) MAPTKMT2AGAAMEN1APAF1
SCHEMBL3476944 0.84 MAPT (0.54) MAPTKMT2AGAAMEN1APAF1

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-2152675-A1 TRIAMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF CDC25 PHOSPHATASE IPSEN PHARMA S.A.S. (FR) 2010-02-17 EP disclosed
WO-2008152223-A1 TRIAMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF CDC25 PHOSPHATASE IPSEN PHARMA S.A.S. (FR) 2008-12-18 WO disclosed