SCHEMBL6858253

SCHEMBL6858253

O=c1c2cc(Br)ccc2n2c(N3CCCCCC3)nnc2n1C/C=C/c1ccncc1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 2/20 0.34
TSHR P16473 2/20 0.32
LMNA P02545 1/20 0.32
ALDH1A1 P00352 1/20 0.31
MEN1 O00255 1/20 0.30
RAD52 P43351 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL6855978 1.00 PLK1 (0.34) PLK1TSHRLMNAALDH1A1MEN1
SCHEMBL6850316 0.99 PLK1 (0.35) PLK1TSHRLMNAALDH1A1
SCHEMBL6850319 0.99 PLK1 (0.35) PLK1TSHRLMNAALDH1A1
SCHEMBL6856532 0.92 PLK1 (0.38) PLK1TSHRLMNAALDH1A1MEN1
SCHEMBL6856530 0.92 PLK1 (0.38) PLK1TSHRLMNAALDH1A1MEN1
SCHEMBL6855779 0.92 PLK1 (0.38) PLK1TSHRLMNAALDH1A1MEN1
SCHEMBL6856178 0.92 PLK1 (0.38) PLK1TSHRLMNAALDH1A1MEN1
SCHEMBL7538109 0.91 MAPT (0.40) PLK1TSHRLMNAALDH1A1SMN1; SMN2
SCHEMBL6850070 0.91 PLK1 (0.39) PLK1TSHRLMNAALDH1A1MEN1
SCHEMBL6850067 0.91 PLK1 (0.39) PLK1TSHRLMNAALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
JP-2002543199-A 2002-12-17 JP claimed
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 claimed
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 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