SCHEMBL3475705

SCHEMBL3475705

CN(CCNc1cc(N2CCCC2)nc(N2CCCC2)n1)CCN1C(N)=Nc2nc[nH]c2C1N

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.35
APAF1 O14727 2/20 0.32
GAA P10253 2/20 0.32
MAPT P10636 2/20 0.32
PPP1CA P62136 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NUDT1 P36639 1/20 0.30

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 0.76 HRH4 (0.46) HRH4APAF1GAAMAPTPPP1CA
SCHEMBL2773622 0.73 HRH4 (0.44) HRH4APAF1GAAMAPTPPP1CA
SCHEMBL3475701 0.73 NUDT1 (0.42) HRH4NUDT1
SCHEMBL2775160 0.72 HRH4 (0.43) HRH4APAF1GAAMAPTPPP1CA
SCHEMBL2772133 0.71 HRH4 (0.42) HRH4APAF1GAAMAPTPPP1CA
SCHEMBL3476877 0.71 PIK3CD (0.45) MAPTHTTSMN1; SMN2
SCHEMBL3476221 0.71 SENP6 (0.41) HRH4APAF1GAAMAPTPPP1CA
SCHEMBL3474881 0.69 CYP2C19 (0.49) APAF1GAAMAPTPPP1CASENP8
SCHEMBL3477066 0.69 HRH4 (0.41) HRH4APAF1GAAMAPTPPP1CA
SCHEMBL2775667 0.69 SENP6 (0.41) HRH4APAF1GAAMAPTPPP1CA

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