SCHEMBL6854055

SCHEMBL6854055

Cn1c(=O)c2cc(Cl)ccc2n2c(N3CCOCC3)nnc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.44
MAPT P10636 2/20 0.44
THRB P10828 1/20 0.44
CYP3A4 P08684 1/20 0.41
PRKDC P78527 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
TRPA1 O75762 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
ATM Q13315 1/20 0.39
GABRA1 P14867 3/20 0.38
GABRG2 P18507 3/20 0.38
GABRB3 P28472 3/20 0.38
GABRA5 P31644 3/20 0.38
MAT2A P31153 1/20 0.38
PLK1 P53350 1/20 0.38

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
SCHEMBL6855739 0.90 TP53 (0.46) TP53MAPTTHRBGABRA1GABRG2
SCHEMBL6855846 0.90 MAPT (0.46) TP53MAPTTHRBCYP3A4KMT2A
SCHEMBL6855784 0.88 MAPT (0.46) TP53MAPTTHRBCYP3A4KMT2A
SCHEMBL6850076 0.88 MAPT (0.46) TP53MAPTTHRBCYP3A4KMT2A
SCHEMBL6854165 0.88 MAPT (0.46) TP53MAPTTHRBCYP3A4KMT2A
SCHEMBL6856874 0.80 MAPT (0.44) TP53MAPTTHRBMAPK1HTT
SCHEMBL6854873 0.79 MAPT (0.46) TP53MAPTTHRBCYP3A4KMT2A
SCHEMBL6855818 0.79 NR3C1 (0.47) TP53MAPTTHRBKMT2AMEN1
SCHEMBL6850120 0.77 MAPT (0.36) TP53MAPTTHRBKMT2AMEN1
SCHEMBL6850114 0.74 PLK1 (0.45) TP53MAPTTHRBKMT2AMEN1

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