SCHEMBL3474881

SCHEMBL3474881

CN(CCNc1ccccn1)CCNc1cc(N2CCCC2)nc(N2CCCC2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.49
HDAC1 Q13547 5/20 0.46
SENP6 Q9GZR1 6/20 0.44
SENP7 Q9BQF6 5/20 0.44
HDAC6 Q9UBN7 3/20 0.43
ACHE P22303 1/20 0.43
KDM6A O15550 3/20 0.42
KDM5C P41229 3/20 0.42
KDM5B Q9UGL1 3/20 0.42
KDM6B O15054 2/20 0.42
KDM4A O75164 2/20 0.42
KDM4B O94953 2/20 0.42
KDM2B Q8NHM5 2/20 0.42
KDM4C Q9H3R0 2/20 0.42
PHF8 Q9UPP1 2/20 0.42
KDM3A Q9Y4C1 2/20 0.42
KDM3B Q7LBC6 1/20 0.42
TET1 Q8NFU7 1/20 0.42
APAF1 O14727 4/20 0.41
MAPT P10636 4/20 0.41

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
SCHEMBL3476221 0.89 SENP6 (0.41) HDAC1SENP6SENP7HDAC6ACHE
SCHEMBL3478373 0.89 HDAC1 (0.42) CYP2C19HDAC1SENP6SENP7HDAC6
SCHEMBL3475816 0.89 HRH4 (0.46) SENP6SENP7APAF1MAPTSMN1; SMN2
SCHEMBL3478593 0.85 SENP6 (0.40) HDAC1SENP6SENP7HDAC6ACHE
SCHEMBL2773622 0.83 HRH4 (0.44) SENP6SENP7APAF1MAPTSMN1; SMN2
SCHEMBL2775160 0.82 HRH4 (0.43) SENP6SENP7APAF1MAPTSMN1; SMN2
SCHEMBL2772133 0.81 HRH4 (0.42) SENP6SENP7APAF1MAPTSMN1; SMN2
SCHEMBL3477066 0.80 HRH4 (0.41) SENP6SENP7APAF1MAPTSMN1; SMN2
SCHEMBL2775667 0.80 SENP6 (0.41) SENP6SENP7APAF1MAPTSMN1; SMN2
SCHEMBL3478113 0.80 LMNA (0.41) CYP2C19SENP6SENP7APAF1MAPT

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