SCHEMBL7466520

SCHEMBL7466520

COc1ccc(Cn2c(=O)c3cc(Br)ccc3n3c(N4CCCCC4)nnc23)cc1OC.O=c1c2cc(Br)ccc2n2c(N3CCCCC3)nnc2n1C/C=C/c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.40
ALDH1A1 P00352 4/20 0.40
LMNA P02545 3/20 0.36
TSHR P16473 2/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HPGD P15428 1/20 0.36
APP P05067 1/20 0.36
TP53 P04637 4/20 0.36
NPSR1 Q6W5P4 2/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
HSP90AA1 P07900 1/20 0.36
PDE7A Q13946 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL7466523 1.00 MAPT (0.40) MAPTALDH1A1LMNATSHRGAA
SCHEMBL7469654 0.99 MAPT (0.40) MAPTALDH1A1LMNATSHRGAA
SCHEMBL7469651 0.99 MAPT (0.40) MAPTALDH1A1LMNATSHRGAA
SCHEMBL6855972 0.89 MAPT (0.41) MAPTALDH1A1LMNATSHRHPGD
SCHEMBL6854129 0.89 MAPT (0.41) MAPTALDH1A1LMNATSHRHPGD
SCHEMBL6854057 0.89 MAPT (0.42) MAPTALDH1A1LMNATSHRHPGD
SCHEMBL6855779 0.88 PLK1 (0.38) MAPTALDH1A1LMNATSHRGAA
SCHEMBL6856532 0.88 PLK1 (0.38) MAPTALDH1A1LMNATSHRGAA
SCHEMBL6856178 0.88 PLK1 (0.38) MAPTALDH1A1LMNATSHRGAA
SCHEMBL6856530 0.88 PLK1 (0.38) MAPTALDH1A1LMNATSHRGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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