SCHEMBL6856584

SCHEMBL6856584

Cn1c(=O)c2cc(Br)ccc2n2c(N3CCCCCC3)nnc12

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PLK1 P53350 2/20 0.35
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
MAPK8 P45983 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
HTR6 P50406 1/20 0.33

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
SCHEMBL6854165 0.86 MAPT (0.46) TSHRLMNATP53MAPTTHRB
SCHEMBL6850114 0.86 PLK1 (0.45) TP53MAPTTHRBSMN1; SMN2PLK1
SCHEMBL6850076 0.86 MAPT (0.46) TSHRLMNATP53MAPTTHRB
SCHEMBL6855784 0.86 MAPT (0.46) TSHRLMNATP53MAPTTHRB
SCHEMBL6850120 0.86 MAPT (0.36) TSHRLMNATP53MAPTTHRB
SCHEMBL6855846 0.84 MAPT (0.46) TSHRLMNATP53MAPTTHRB
SCHEMBL6858267 0.83 GAA (0.47) TSHRLMNATP53MAPTTHRB
SCHEMBL6850094 0.82 ALDH1A1 (0.43) TSHRLMNATP53MAPTSMN1; SMN2
SCHEMBL6854846 0.82 SMN1; SMN2 (0.46) TSHRLMNAMAPTSMN1; SMN2PLK1
SCHEMBL6855741 0.82 PLK1 (0.41) TSHRLMNASMN1; SMN2PLK1ALDH1A1

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 9 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
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
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 disclosed
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 disclosed