SCHEMBL6854060

SCHEMBL6854060

CN(C)c1nnc2[nH]c(=O)c3cc(Br)ccc3n12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MALT1 Q9UDY8 8/20 0.38
NQO2 P16083 2/20 0.38
KCNMA1 Q12791 1/20 0.36
NQO1 P15559 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
TYMS P04818 1/20 0.34
PIM1 P11309 3/20 0.33
PIM2 Q9P1W9 1/20 0.33
CHEK1 O14757 2/20 0.33
FLT3 P36888 2/20 0.33
TP53 P04637 1/20 0.33
AKT1 P31749 1/20 0.33
PIM3 Q86V86 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
AURKA O14965 1/20 0.33

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
SCHEMBL6850058 0.85 MALT1 (0.39) NPC1RAB9AMALT1TYMSPIM1
SCHEMBL6855823 0.74 PIM1 (0.35) NPC1RAB9AMALT1KCNMA1HDAC1
SCHEMBL6855765 0.69 RXFP1 (0.33) MALT1HPGD
SCHEMBL22045665 0.69 KDM4E (0.50) NPC1RAB9ATP53LMNAHPGD
SCHEMBL6854321 0.68 NQO2 (0.38) NQO2NQO1LMNA
SCHEMBL6849994 0.67 PLK1 (0.48) NPC1TP53MAPK8
SCHEMBL24932075 0.67 TP53 (0.41) HDAC1HDAC8HDAC6TYMSPIM1
SCHEMBL30997515 0.67 TP53 (0.41) HDAC1HDAC8HDAC6TYMSPIM1
SCHEMBL30997510 0.67 TP53 (0.41) HDAC1HDAC8HDAC6TYMSPIM1
SCHEMBL22745861 0.66 PARG (0.49) MALT1KCNMA1HDAC1HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6828315-B1 Anti- inflammatories, anti-allergics, bronchodilatators, anti-asthmatics, or TNF alpha inhibitors WARNER-LAMBERT LLC 2004-12-07 US disclosed
EP-1177195-B1 1-AMINO TRIAZOLO 4,3-a! QUINAZOLINE-5-ONES AND OR -5-THIONES INHIBITING PHOSPHODIESTERASE IV WARNER LAMBERT CO (US) 2003-03-19 EP disclosed
EP-1177195-A1 1-AMINO TRIAZOLO 4,3-a! QUINAZOLINE-5-ONES AND OR -5-THIONES INHIBITING PHOSPHODIESTERASE IV WARNER-LAMBERT COMPANY (US) 2002-02-06 EP disclosed
WO-2000066584-A1 1-AMINO TRIAZOLO¢4,3-a! QUINAZOLINE-5-ONES AND OR -5-THIONES INHIBITING PHOSPHODIESTERASE IV WARNER-LAMBERT COMPANY (US) 2000-11-09 WO disclosed