SCHEMBL6855823

SCHEMBL6855823

O=c1[nH]c2nnc(N3CCCC3)n2c2ccc(Br)cc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 3/20 0.35
CSNK2A2 P19784 3/20 0.35
CSNK2B P67870 3/20 0.35
PIM3 Q86V86 3/20 0.35
PIM2 Q9P1W9 3/20 0.35
CDC7 O00311 1/20 0.35
CSNK2A1 P68400 1/20 0.35
KMT2A Q03164 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
MALT1 Q9UDY8 6/20 0.34
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 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
SCHEMBL6854844 0.84 MAT2A (0.43) PIM1PIM2KMT2ANPC1RAB9A
SCHEMBL6858242 0.81 HPGD (0.41) CSNK2A2CSNK2BCSNK2A1KMT2AMEN1
SCHEMBL6858355 0.78 ALDH1A1 (0.33) KMT2ARAB9AMEN1ALDH1A1MAPT
SCHEMBL6854060 0.74 NPC1 (0.39) PIM1PIM3PIM2NPC1RAB9A
SCHEMBL6856584 0.73 TSHR (0.38) KMT2AMEN1ALDH1A1MAPTRXFP1
SCHEMBL6855310 0.70 PLK1 (0.37) KMT2AMEN1ALDH1A1
SCHEMBL6855741 0.70 PLK1 (0.41) KMT2AMEN1ALDH1A1NPSR1
SCHEMBL6850264 0.69 PLK1 (0.36) KMT2AMEN1ALDH1A1
SCHEMBL6854138 0.69 MAPK8 (0.42) NPC1MAPT
SCHEMBL6850125 0.69 L3MBTL1 (0.48) KMT2ANPC1MEN1ALDH1A1MAPT

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