Sugi Predict

Sugi Predict / Compounds / SCHEMBL3475701

SCHEMBL3475701

SCHEMBL3475701

CN(CCNc1cc(N2CCCC2)nc(N2CCCC2)n1)CCNc1nc(N)nc2nc[nH]c12

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NUDT1 P36639 3/20 0.42
▸ PRKACA P17612 3/20 0.42
▸ HDAC1 Q13547 3/20 0.39
▸ HDAC2 Q92769 3/20 0.39
▸ CDK1 P06493 1/20 0.39
▸ HRH4 Q9H3N8 4/20 0.39
▸ BRAF P15056 5/20 0.36
▸ TLR9 Q9NR96 1/20 0.35

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
SCHEMBL3476877 0.87 PIK3CD (0.45) —
SCHEMBL3475816 0.80 HRH4 (0.46) NUDT1HRH4
SCHEMBL2773622 0.77 HRH4 (0.44) NUDT1HRH4
SCHEMBL2775160 0.76 HRH4 (0.43) NUDT1HRH4
SCHEMBL2772133 0.75 HRH4 (0.42) NUDT1HRH4
SCHEMBL3476221 0.74 SENP6 (0.41) HDAC1HRH4
SCHEMBL2773827 0.73 HRH4 (0.43) NUDT1HRH4
SCHEMBL3475705 0.73 HRH4 (0.35) NUDT1HRH4
SCHEMBL3474881 0.73 CYP2C19 (0.49) HDAC1
SCHEMBL3477066 0.73 HRH4 (0.41) HRH4

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