SCHEMBL6778680

SCHEMBL6778680

Cc1nc(N)c2nc(C)n(CCNC(=O)CCc3ccccc3)c2c1C

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.43
HTT P42858 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
TLR7 Q9NYK1 2/20 0.42
LMNA P02545 2/20 0.41
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 2/20 0.41
POLB P06746 1/20 0.41
GAA P10253 2/20 0.40
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL6772471 0.94 HPGD (0.46) HPGDMEN1KMT2ATLR7LMNA
SCHEMBL6773093 0.90 KMT2A (0.51) HPGDMEN1KMT2ATLR7MAPT
SCHEMBL6773831 0.85 TLR7 (0.40) HPGDHTTMEN1KMT2ATLR7
SCHEMBL6774292 0.84 ALDH1A1 (0.47) HPGDMEN1KMT2ATLR7MAPT
SCHEMBL6774657 0.83 MAPT (0.49) HPGDMEN1KMT2ATLR7LMNA
SCHEMBL8120767 0.82 TLR7 (0.52) MEN1KMT2ATLR7LMNAMAPT
SCHEMBL6768462 0.82 TLR7 (0.38) KMT2ATLR7SMN1; SMN2
SCHEMBL6776784 0.81 ALDH1A1 (0.48) HPGDHTTMEN1KMT2ATLR7
SCHEMBL6774879 0.81 TLR7 (0.48) HPGDTLR7LMNAKDM4EGAA
SCHEMBL6781809 0.80 POLB (0.42) HPGDMEN1KMT2ATLR7KDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6720333-B2 IMMUNE RESPONSE MODIFIERS; CYTOKINE BIOSYNTHESIS; VIRAL AND NEOPLASTIC DISEASES; N-(4-(4-AMINO-6,7-DIMETHYL-1H-IMIDAZO (4,5-C)PYRIDIN-1-YL)BUTYL)BENZAMIDE 3M INNOVATIVE PROPERTIES COMPANY 2004-04-13 US claimed