SCHEMBL2813898

SCHEMBL2813898

N=C(N)NCCNCCCNc1cc(N2CCCC2)nc(N2CCCC2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SENP6 Q9GZR1 9/20 0.39
APAF1 O14727 8/20 0.39
MAPT P10636 8/20 0.39
SENP7 Q9BQF6 8/20 0.39
GAA P10253 6/20 0.39
SENP8 Q96LD8 5/20 0.39
KDM4E B2RXH2 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KMT2A Q03164 2/20 0.39
PABPC1 P11940 1/20 0.39
PPP1CA P62136 3/20 0.39
LMNA P02545 4/20 0.38
HTT P42858 2/20 0.38
NSD2 O96028 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
POLB P06746 1/20 0.38
THRB P10828 1/20 0.38
BLM P54132 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CASP1 P29466 1/20 0.38

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
SCHEMBL3476846 0.80 CASP1 (0.50) SENP6APAF1MAPTSENP7GAA
SCHEMBL2785735 0.77 KMT5A (0.51) SENP6APAF1MAPTSENP7GAA
SCHEMBL2773991 0.76 CXCR4 (0.50) SENP6APAF1MAPTSENP7GAA
SCHEMBL9215848 0.76 HRH4 (0.56) SENP6APAF1MAPTSENP7GAA
SCHEMBL3477403 0.74 MAPT (0.48) SENP6APAF1MAPTSENP7GAA
SCHEMBL2787221 0.71 KMT5A (0.54) SENP6APAF1MAPTSENP7GAA
SCHEMBL2773827 0.71 HRH4 (0.43) SENP6APAF1MAPTSENP7GAA
SCHEMBL3475816 0.70 HRH4 (0.46) SENP6APAF1MAPTSENP7GAA
SCHEMBL2788861 0.70 KMT5A (0.56) SENP6APAF1MAPTSENP7GAA
SCHEMBL2770739 0.69 ALDH1A1 (0.53) SENP6APAF1MAPTSENP7GAA

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