SCHEMBL6855741

SCHEMBL6855741

O=c1c2cc(Br)ccc2n2c(N3CCCC3)nnc2n1CCO

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 6/20 0.41
ALDH1A1 P00352 1/20 0.37
CCNB2 O95067 1/20 0.37
CDK1 P06493 1/20 0.37
CCNB1 P14635 1/20 0.37
GSK3B P49841 1/20 0.37
CCNB3 Q8WWL7 1/20 0.37
HTT P42858 1/20 0.36
TSHR P16473 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 1/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
RAD52 P43351 1/20 0.34
CCR3 P51677 1/20 0.33
HSP90AA1 P07900 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL6850094 0.87 ALDH1A1 (0.43) PLK1ALDH1A1TSHRSMN1; SMN2LMNA
SCHEMBL6855310 0.85 PLK1 (0.37) PLK1ALDH1A1TSHRLMNAMEN1
SCHEMBL6854846 0.85 SMN1; SMN2 (0.46) PLK1ALDH1A1TSHRSMN1; SMN2LMNA
SCHEMBL6850264 0.84 PLK1 (0.36) PLK1ALDH1A1TSHRSMN1; SMN2LMNA
SCHEMBL6854071 0.83 TP53 (0.41) PLK1ALDH1A1HTTTSHRSMN1; SMN2
SCHEMBL6854093 0.83 TSHR (0.44) PLK1ALDH1A1TSHRSMN1; SMN2LMNA
SCHEMBL6854112 0.83 PLK1 (0.43) PLK1ALDH1A1TSHRSMN1; SMN2LMNA
SCHEMBL6854138 0.83 MAPK8 (0.42) PLK1TSHRLMNA
SCHEMBL6850125 0.83 L3MBTL1 (0.48) PLK1ALDH1A1HTTTSHRLMNA
SCHEMBL6854145 0.82 L3MBTL1 (0.47) PLK1ALDH1A1HTTTSHRSMN1; SMN2

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 claimed
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 claimed
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