SCHEMBL6855784

SCHEMBL6855784

Cn1c(=O)c2cc(Cl)ccc2n2c(N3CCCCCCC3)nnc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
TP53 P04637 1/20 0.46
THRB P10828 1/20 0.46
GABRA1 P14867 5/20 0.40
GABRG2 P18507 5/20 0.40
GABRB3 P28472 5/20 0.40
GABRA5 P31644 5/20 0.40
PLK1 P53350 3/20 0.39
HSD17B10 Q99714 2/20 0.37
MCHR1 Q99705 1/20 0.37
LMNA P02545 1/20 0.37
ADORA1 P30542 1/20 0.37
MAT2A P31153 1/20 0.37
ALDH1A1 P00352 2/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KMT2A Q03164 2/20 0.36
HTR3A P46098 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL6850076 1.00 MAPT (0.46) MAPTTP53THRBGABRA1GABRG2
SCHEMBL6854165 1.00 MAPT (0.46) MAPTTP53THRBGABRA1GABRG2
SCHEMBL6855846 0.99 MAPT (0.46) MAPTTP53THRBGABRA1GABRG2
SCHEMBL6855739 0.92 TP53 (0.46) MAPTTP53THRBGABRA1GABRG2
SCHEMBL6854873 0.91 MAPT (0.46) MAPTTP53THRBHSD17B10MCHR1
SCHEMBL6854055 0.88 TP53 (0.44) MAPTTP53THRBGABRA1GABRG2
SCHEMBL6850120 0.86 MAPT (0.36) MAPTTP53THRBPLK1HSD17B10
SCHEMBL6850114 0.86 PLK1 (0.45) MAPTTP53THRBPLK1HSD17B10
SCHEMBL6856584 0.86 TSHR (0.38) MAPTTP53THRBPLK1LMNA
SCHEMBL6850089 0.85 PLK1 (0.44) MAPTTP53THRBPLK1HSD17B10

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