SCHEMBL2770979

SCHEMBL2770979

CN(CCNc1cc(N2CCCC2)nc(N2CCCC2)n1)CCN(C(N)=S)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 5/20 0.38
THRB P10828 2/20 0.36
MAPT P10636 9/20 0.35
APAF1 O14727 8/20 0.35
SENP6 Q9GZR1 8/20 0.35
GAA P10253 7/20 0.35
SENP7 Q9BQF6 7/20 0.35
SENP8 Q96LD8 4/20 0.35
PPP1CA P62136 3/20 0.35
ITGAL P20701 1/20 0.34
KDM4E B2RXH2 5/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
HTT P42858 4/20 0.34
KMT2A Q03164 2/20 0.34
PABPC1 P11940 1/20 0.34
HRH3 Q9Y5N1 2/20 0.33
LMNA P02545 3/20 0.33
NSD2 O96028 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL2772315 0.93 MAPT (0.34) HRH4THRBMAPTAPAF1SENP6
SCHEMBL2774620 0.90 HRH4 (0.38) HRH4THRBMAPTAPAF1SENP6
SCHEMBL2771103 0.90 HRH4 (0.38) HRH4THRBMAPTAPAF1SENP6
SCHEMBL2774430 0.89 MAPT (0.40) HRH4THRBMAPTAPAF1SENP6
SCHEMBL2789899 0.88 MAPT (0.34) HRH4THRBMAPTAPAF1SENP6
SCHEMBL2771590 0.88 HRH4 (0.38) HRH4THRBMAPTAPAF1SENP6
SCHEMBL2771555 0.86 MAPT (0.47) HRH4THRBMAPTAPAF1SENP6
SCHEMBL2772675 0.86 GAA (0.46) HRH4MAPTAPAF1SENP6GAA
SCHEMBL2773440 0.86 HRH4 (0.40) HRH4THRBMAPTAPAF1SENP6
SCHEMBL2773159 0.86 MAPT (0.35) HRH4THRBMAPTAPAF1SENP6

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