SCHEMBL2771103

SCHEMBL2771103

CN(CCNc1cc(N2CCC2)nc(N2CCC2)n1)CCN(C(N)=S)c1ccc(Cl)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 4/20 0.38
GBA1 P04062 2/20 0.36
ESR1 P03372 5/20 0.35
ESR2 Q92731 5/20 0.35
MAPT P10636 7/20 0.34
GAA P10253 5/20 0.34
APAF1 O14727 5/20 0.34
SENP7 Q9BQF6 4/20 0.34
SENP6 Q9GZR1 4/20 0.34
SENP8 Q96LD8 2/20 0.34
PPP1CA P62136 1/20 0.34
KDM4E B2RXH2 3/20 0.34
HTT P42858 2/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
THRB P10828 1/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
PABPC1 P11940 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32

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
SCHEMBL2774620 0.97 HRH4 (0.38) HRH4GBA1ESR1ESR2MAPT
SCHEMBL2774430 0.91 MAPT (0.40) HRH4GBA1MAPTGAAAPAF1
SCHEMBL2770979 0.90 HRH4 (0.38) HRH4MAPTGAAAPAF1SENP7
SCHEMBL2772664 0.89 GBA1 (0.41) HRH4GBA1ESR1ESR2MAPT
SCHEMBL2771590 0.89 HRH4 (0.38) HRH4ESR1ESR2MAPTGAA
SCHEMBL2789899 0.88 MAPT (0.34) HRH4MAPTGAAAPAF1SENP7
SCHEMBL2771555 0.88 MAPT (0.47) HRH4GBA1MAPTGAAAPAF1
SCHEMBL2773159 0.88 MAPT (0.35) HRH4GBA1MAPTGAAAPAF1
SCHEMBL2772675 0.88 GAA (0.46) HRH4GBA1MAPTGAAAPAF1
SCHEMBL2773440 0.88 HRH4 (0.40) HRH4ESR1ESR2MAPTGAA

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 4 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 claimed
WO-2008152223-A1 TRIAMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF CDC25 PHOSPHATASE IPSEN PHARMA S.A.S. (FR) 2008-12-18 WO claimed
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