SCHEMBL3478434

SCHEMBL3478434

CN(CCNc1ccc(C(C)(C)C)cc1)CCNc1cc(N2CCCC2)nc(N2CCCC2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.53
APAF1 O14727 5/20 0.53
MAPT P10636 5/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
HTT P42858 2/20 0.53
POLB P06746 1/20 0.44
HRH4 Q9H3N8 3/20 0.44
GBA1 P04062 1/20 0.43
SENP6 Q9GZR1 6/20 0.41
SENP7 Q9BQF6 5/20 0.41
SENP8 Q96LD8 4/20 0.41
PPP1CA P62136 1/20 0.41
GALR2 O43603 5/20 0.40
GALR1 P47211 2/20 0.40
CASP1 P29466 2/20 0.40
CASP5 P51878 2/20 0.40
CASP4 P49662 1/20 0.40
KDM4E B2RXH2 3/20 0.37
NSD2 O96028 2/20 0.37
SAE1 Q9UBE0 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
SCHEMBL2773799 0.88 HTT (0.48) GAAAPAF1MAPTSMN1; SMN2HTT
SCHEMBL3475816 0.87 HRH4 (0.46) GAAAPAF1MAPTSMN1; SMN2HTT
SCHEMBL2771555 0.83 MAPT (0.47) GAAAPAF1MAPTSMN1; SMN2HTT
SCHEMBL3476944 0.83 MAPT (0.54) GAAAPAF1MAPTSMN1; SMN2HTT
SCHEMBL2772663 0.81 RAD52 (0.45) GAAAPAF1MAPTSMN1; SMN2HTT
SCHEMBL2773622 0.81 HRH4 (0.44) GAAAPAF1MAPTSMN1; SMN2HTT
SCHEMBL2775160 0.80 HRH4 (0.43) GAAAPAF1MAPTSMN1; SMN2HTT
SCHEMBL2772288 0.79 CASP1 (0.44) GAAAPAF1MAPTSMN1; SMN2HTT
SCHEMBL2772133 0.79 HRH4 (0.42) GAAAPAF1MAPTSMN1; SMN2HTT
SCHEMBL3474881 0.79 CYP2C19 (0.49) GAAAPAF1MAPTSMN1; SMN2HTT

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