SCHEMBL6854097

SCHEMBL6854097

O=c1c2cc(Cl)ccc2n2c(N3CCCCCC3)nnc2n1Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.42
PLK1 P53350 2/20 0.41
GPBAR1 Q8TDU6 1/20 0.40
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 2/20 0.39
HTT P42858 1/20 0.39
CASP1 P29466 1/20 0.39
CASP4 P49662 1/20 0.39
CASP5 P51878 1/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
EGLN2 Q96KS0 1/20 0.39
EGLN1 Q9GZT9 1/20 0.39
EGLN3 Q9H6Z9 1/20 0.39
CYP3A4 P08684 1/20 0.38
CLPP Q16740 1/20 0.38
SOS1 Q07889 2/20 0.38
P2RX3 P56373 1/20 0.38
TP53 P04637 2/20 0.37
CTNNB1 P35222 1/20 0.37

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
SCHEMBL6853905 0.91 L3MBTL1 (0.47) L3MBTL1PLK1ALDH1A1KDM4EHTT
SCHEMBL6855322 0.89 ALDH1A1 (0.48) L3MBTL1PLK1ALDH1A1KDM4EHTT
SCHEMBL6856185 0.88 L3MBTL1 (0.45) L3MBTL1PLK1ALDH1A1KDM4EHTT
SCHEMBL6850175 0.87 L3MBTL1 (0.44) L3MBTL1PLK1ALDH1A1KDM4EHTT
SCHEMBL6996136 0.87 MAPT (0.51) L3MBTL1PLK1ALDH1A1KDM4EHTT
SCHEMBL6853858 0.87 L3MBTL1 (0.55) L3MBTL1PLK1ALDH1A1KDM4EHTT
SCHEMBL6855333 0.87 L3MBTL1 (0.55) L3MBTL1PLK1ALDH1A1KDM4EHTT
SCHEMBL6856899 0.87 L3MBTL1 (0.43) L3MBTL1PLK1ALDH1A1KDM4EHTT
SCHEMBL6854118 0.86 L3MBTL1 (0.56) L3MBTL1PLK1ALDH1A1KDM4EHTT
SCHEMBL7465849 0.86 L3MBTL1 (0.52) L3MBTL1ALDH1A1KDM4EHTTMAPT

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
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
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