SCHEMBL2774430

SCHEMBL2774430

CN(CCNc1cc(N2CCCC2)nc(N2CCCC2)n1)CCN(C(N)=S)c1ccc(N(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.40
GAA P10253 8/20 0.40
KDM4E B2RXH2 6/20 0.40
HTT P42858 4/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 1/20 0.40
SENP6 Q9GZR1 10/20 0.37
APAF1 O14727 9/20 0.37
SENP7 Q9BQF6 9/20 0.37
SENP8 Q96LD8 6/20 0.37
PPP1CA P62136 3/20 0.37
HRH4 Q9H3N8 3/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
PABPC1 P11940 1/20 0.36
LMNA P02545 4/20 0.35
NSD2 O96028 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
POLB P06746 1/20 0.35
THRB P10828 1/20 0.35

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
SCHEMBL2771590 0.93 HRH4 (0.38) MAPTGAAKDM4EHTTKMT2A
SCHEMBL2774620 0.92 HRH4 (0.38) MAPTGAAKDM4EHTTKMT2A
SCHEMBL2773159 0.91 MAPT (0.35) MAPTGAAKDM4EHTTKMT2A
SCHEMBL2772675 0.91 GAA (0.46) MAPTGAAKDM4EHTTALDH1A1
SCHEMBL2773440 0.91 HRH4 (0.40) MAPTGAAKDM4EHTTKMT2A
SCHEMBL2771555 0.91 MAPT (0.47) MAPTGAAKDM4EHTTKMT2A
SCHEMBL2771103 0.91 HRH4 (0.38) MAPTGAAKDM4EHTTKMT2A
SCHEMBL2770979 0.89 HRH4 (0.38) MAPTGAAKDM4EHTTKMT2A
SCHEMBL2772066 0.89 MAPT (0.49) MAPTGAAKDM4EHTTKMT2A
SCHEMBL2772831 0.89 GALR2 (0.41) MAPTGAAKDM4EHTTALDH1A1

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