SCHEMBL3477418

SCHEMBL3477418

CCCN(CCC)S(=O)(=O)c1ccc(C(=O)NCCN(C)CCNc2cc(N3CCCC3)nc(N3CCCC3)n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 14/20 0.54
CA12 O43570 13/20 0.54
CA1 P00915 6/20 0.49
APAF1 O14727 3/20 0.45
GAA P10253 3/20 0.45
MAPT P10636 3/20 0.45
SENP8 Q96LD8 2/20 0.45
SENP7 Q9BQF6 2/20 0.45
SENP6 Q9GZR1 2/20 0.45
PPP1CA P62136 1/20 0.45
CA2 P00918 2/20 0.45
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NSD2 O96028 1/20 0.43
LMNA P02545 1/20 0.43
CASP3 P42574 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL3477405 0.83 GAA (0.46) APAF1GAAMAPTSENP8SENP7
SCHEMBL3476026 0.83 MAPT (0.64) APAF1GAAMAPTSENP8SENP7
SCHEMBL2789360 0.83 APAF1 (0.52) APAF1GAAMAPTSENP8SENP7
SCHEMBL3476243 0.83 MAPT (0.46) APAF1GAAMAPTSENP8SENP7
SCHEMBL3476638 0.79 GAA (0.45) APAF1GAAMAPTSENP8SENP7
SCHEMBL3475711 0.78 GAA (0.44) APAF1GAAMAPTSENP8SENP7
SCHEMBL3477427 0.78 RAF1 (0.49) APAF1GAAMAPTSENP8SENP7
SCHEMBL3476321 0.78 MAPT (0.48) APAF1GAAMAPTSENP8SENP7
SCHEMBL3476543 0.78 MAPT (0.48) APAF1GAAMAPTSENP8SENP7
SCHEMBL2774055 0.78 MAPT (0.43) APAF1GAAMAPTSENP8SENP7

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
WO-2010130900-A2 TRIAMINOPYRIMIDINE DERIVATIVES AS CDC25 PHOSPHATASE INHIBITORS IPSEN PHARMA S.A.S. (FR) 2010-11-18 WO claimed
WO-2010130900-A2 TRIAMINOPYRIMIDINE DERIVATIVES AS CDC25 PHOSPHATASE INHIBITORS IPSEN PHARMA S.A.S. (FR) 2010-11-18 WO disclosed