SCHEMBL3476548

SCHEMBL3476548

CN(CCNc1cc(N2CCCC2)nc(N2CCCC2)n1)CCNc1ncc([N+](=O)[O-])cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.46
KMT2A Q03164 6/20 0.46
GAA P10253 6/20 0.46
MEN1 O00255 5/20 0.46
APAF1 O14727 5/20 0.46
LMNA P02545 4/20 0.46
SENP7 Q9BQF6 4/20 0.46
SENP6 Q9GZR1 4/20 0.46
SENP8 Q96LD8 3/20 0.46
NSD2 O96028 2/20 0.46
CASP3 P42574 2/20 0.46
SAE1 Q9UBE0 2/20 0.46
UBA2 Q9UBT2 2/20 0.46
KDM4E B2RXH2 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CASP1 P29466 2/20 0.43
CASP4 P49662 2/20 0.43
CASP5 P51878 2/20 0.43
ALDH1A1 P00352 5/20 0.41
NPSR1 Q6W5P4 2/20 0.39

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
SCHEMBL3476944 0.85 MAPT (0.54) MAPTKMT2AGAAMEN1APAF1
SCHEMBL3476221 0.84 SENP6 (0.41) MAPTKMT2AGAAMEN1APAF1
SCHEMBL3475816 0.83 HRH4 (0.46) MAPTKMT2AGAAMEN1APAF1
SCHEMBL2771524 0.81 KMT2A (0.50) MAPTKMT2AGAAMEN1APAF1
SCHEMBL3476026 0.81 MAPT (0.64) MAPTKMT2AGAAMEN1APAF1
SCHEMBL2773174 0.79 KMT2A (0.49) MAPTKMT2AGAAMEN1APAF1
SCHEMBL2772066 0.78 MAPT (0.49) MAPTKMT2AGAAMEN1APAF1
SCHEMBL2773622 0.78 HRH4 (0.44) MAPTKMT2AGAAAPAF1LMNA
SCHEMBL2775160 0.77 HRH4 (0.43) MAPTKMT2AGAAAPAF1LMNA
SCHEMBL2772271 0.77 ALDH1A1 (0.46) 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
WO-2010130900-A2 TRIAMINOPYRIMIDINE DERIVATIVES AS CDC25 PHOSPHATASE INHIBITORS IPSEN PHARMA S.A.S. (FR) 2010-11-18 WO claimed
WO-2010130900-A2 TRIAMINOPYRIMIDINE DERIVATIVES AS CDC25 PHOSPHATASE INHIBITORS IPSEN PHARMA S.A.S. (FR) 2010-11-18 WO disclosed