SCHEMBL2773159

SCHEMBL2773159

CSc1ccc(N(CCN(C)CCNc2cc(N3CCCC3)nc(N3CCCC3)n2)C(N)=S)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.35
SENP6 Q9GZR1 10/20 0.35
APAF1 O14727 9/20 0.35
SENP7 Q9BQF6 9/20 0.35
GAA P10253 8/20 0.35
SENP8 Q96LD8 6/20 0.35
PPP1CA P62136 3/20 0.35
KDM4E B2RXH2 6/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
HTT P42858 4/20 0.34
KMT2A Q03164 3/20 0.34
HRH4 Q9H3N8 2/20 0.34
PABPC1 P11940 1/20 0.34
LMNA P02545 4/20 0.33
NSD2 O96028 3/20 0.33
MEN1 O00255 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
ALDH1A1 P00352 2/20 0.33
POLB P06746 1/20 0.33
THRB P10828 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
SCHEMBL2774430 0.91 MAPT (0.40) MAPTSENP6APAF1SENP7GAA
SCHEMBL2771590 0.90 HRH4 (0.38) MAPTSENP6APAF1SENP7GAA
SCHEMBL2774620 0.89 HRH4 (0.38) MAPTSENP6APAF1SENP7GAA
SCHEMBL2773440 0.88 HRH4 (0.40) MAPTSENP6APAF1SENP7GAA
SCHEMBL2772675 0.88 GAA (0.46) MAPTSENP6APAF1SENP7GAA
SCHEMBL2771555 0.88 MAPT (0.47) MAPTSENP6APAF1SENP7GAA
SCHEMBL2771103 0.88 HRH4 (0.38) MAPTSENP6APAF1SENP7GAA
SCHEMBL2770979 0.86 HRH4 (0.38) MAPTSENP6APAF1SENP7GAA
SCHEMBL2772831 0.86 GALR2 (0.41) MAPTSENP6APAF1SENP7GAA
SCHEMBL2772066 0.86 MAPT (0.49) MAPTSENP6APAF1SENP7GAA

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