SCHEMBL3477429

SCHEMBL3477429

CN(CCNC(=O)c1c(F)c(F)c(F)c(F)c1F)CCNc1cc(N2CCCC2)nc(N2CCCC2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 7/20 0.43
MAPT P10636 7/20 0.43
GAA P10253 7/20 0.43
SENP7 Q9BQF6 6/20 0.43
SENP6 Q9GZR1 6/20 0.43
SENP8 Q96LD8 3/20 0.43
PPP1CA P62136 2/20 0.43
SMN1; SMN2 Q16637 4/20 0.41
HTT P42858 2/20 0.41
KDM4E B2RXH2 5/20 0.39
KMT2A Q03164 3/20 0.39
LMNA P02545 3/20 0.39
MEN1 O00255 2/20 0.39
NSD2 O96028 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
CASP3 P42574 1/20 0.39
SAE1 Q9UBE0 1/20 0.39
UBA2 Q9UBT2 1/20 0.39
ADORA2A P29274 2/20 0.37
ADORA1 P30542 2/20 0.37

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
SCHEMBL3475816 0.84 HRH4 (0.46) APAF1MAPTGAASENP7SENP6
SCHEMBL3476638 0.83 GAA (0.45) APAF1MAPTGAASENP7SENP6
SCHEMBL2774055 0.83 MAPT (0.43) APAF1MAPTGAASENP7SENP6
SCHEMBL2786331 0.83 KDM4E (0.40) APAF1MAPTGAASENP7SENP6
SCHEMBL3477427 0.82 RAF1 (0.49) APAF1MAPTGAASENP7SENP6
SCHEMBL3476543 0.82 MAPT (0.48) APAF1MAPTGAASENP7SENP6
SCHEMBL3476321 0.82 MAPT (0.48) APAF1MAPTGAASENP7SENP6
SCHEMBL2791335 0.81 MAPT (0.44) APAF1MAPTGAASENP7SENP6
SCHEMBL2789360 0.81 APAF1 (0.52) APAF1MAPTGAASENP7SENP6
SCHEMBL3475711 0.80 GAA (0.44) APAF1MAPTGAASENP7SENP6

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