SCHEMBL3477339

SCHEMBL3477339

CN(CCNC(=O)c1ccc([N+](=O)[O-])c(C(F)(F)F)c1)CCNc1cc(N2CCCC2)nc(N2CCCC2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.46
LMNA P02545 6/20 0.46
GAA P10253 5/20 0.46
KMT2A Q03164 5/20 0.46
APAF1 O14727 4/20 0.46
TDP1 Q9NUW8 4/20 0.46
MEN1 O00255 4/20 0.46
SENP8 Q96LD8 3/20 0.46
SENP7 Q9BQF6 3/20 0.46
SENP6 Q9GZR1 3/20 0.46
NSD2 O96028 2/20 0.46
CASP3 P42574 2/20 0.46
SAE1 Q9UBE0 2/20 0.46
UBA2 Q9UBT2 2/20 0.46
KDM4E B2RXH2 1/20 0.46
SMN1; SMN2 Q16637 5/20 0.41
HTT P42858 4/20 0.41
PPP1CA P62136 1/20 0.41
ALDH1A1 P00352 9/20 0.40
L3MBTL1 Q9Y468 4/20 0.40

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
SCHEMBL3476321 0.90 MAPT (0.48) MAPTLMNAGAAKMT2AAPAF1
SCHEMBL3476543 0.88 MAPT (0.48) MAPTLMNAGAAKMT2AAPAF1
SCHEMBL3477758 0.86 MAPT (0.47) MAPTLMNAGAAKMT2AAPAF1
SCHEMBL3476026 0.85 MAPT (0.64) MAPTLMNAGAAKMT2AAPAF1
SCHEMBL3476863 0.85 KMT2A (0.46) MAPTLMNAGAAKMT2AAPAF1
SCHEMBL3477427 0.82 RAF1 (0.49) MAPTGAAAPAF1SENP8SENP7
SCHEMBL3476638 0.82 GAA (0.45) MAPTLMNAGAAKMT2AAPAF1
SCHEMBL2789360 0.79 APAF1 (0.52) MAPTLMNAGAAKMT2AAPAF1
SCHEMBL3477429 0.78 APAF1 (0.43) MAPTLMNAGAAKMT2AAPAF1
SCHEMBL3475711 0.78 GAA (0.44) MAPTLMNAGAAKMT2AAPAF1

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