SCHEMBL3477066

SCHEMBL3477066

CN(CCNc1cc(Cl)ncn1)CCNc1cc(N2CCCC2)nc(N2CCCC2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 9/20 0.41
HRH3 Q9Y5N1 2/20 0.41
HRH2 P25021 1/20 0.41
SENP6 Q9GZR1 6/20 0.38
SENP7 Q9BQF6 5/20 0.38
APAF1 O14727 5/20 0.38
MAPT P10636 5/20 0.38
GAA P10253 4/20 0.38
SENP8 Q96LD8 3/20 0.38
PPP1CA P62136 1/20 0.38
CASP1 P29466 2/20 0.36
CASP5 P51878 2/20 0.36
CASP4 P49662 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
KDM4E B2RXH2 2/20 0.36
HTT P42858 2/20 0.36
NSD2 O96028 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SAE1 Q9UBE0 1/20 0.36
UBA2 Q9UBT2 1/20 0.36

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 0.89 HRH4 (0.46) HRH4SENP6SENP7APAF1MAPT
SCHEMBL2773622 0.83 HRH4 (0.44) HRH4SENP6SENP7APAF1MAPT
SCHEMBL3476221 0.82 SENP6 (0.41) HRH4SENP6SENP7APAF1MAPT
SCHEMBL2775667 0.82 SENP6 (0.41) HRH4HRH3HRH2SENP6SENP7
SCHEMBL2775160 0.82 HRH4 (0.43) HRH4SENP6SENP7APAF1MAPT
SCHEMBL2772133 0.81 HRH4 (0.42) HRH4SENP6SENP7APAF1MAPT
SCHEMBL3474881 0.80 CYP2C19 (0.49) SENP6SENP7APAF1MAPTGAA
SCHEMBL3477496 0.78 CDK1 (0.39) HRH4HRH3HRH2SENP6SENP7
SCHEMBL3476877 0.78 PIK3CD (0.45) MAPTSMN1; SMN2HTTNPSR1
SCHEMBL2813900 0.77 HRH4 (0.40) HRH4SENP6SENP7APAF1MAPT

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