SCHEMBL6850089

SCHEMBL6850089

CCn1c(=O)c2cc(Cl)ccc2n2c(N3CCCCCC3)nnc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 5/20 0.44
MAPT P10636 8/20 0.42
LMNA P02545 2/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TP53 P04637 5/20 0.40
TDP1 Q9NUW8 2/20 0.40
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
RAD52 P43351 1/20 0.38
NLRP1 Q9C000 1/20 0.38
PTGER4 P35408 1/20 0.38
GAA P10253 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 0.88 L3MBTL1 (0.47) PLK1MAPTLMNAALDH1A1KDM4E
SCHEMBL6996136 0.86 MAPT (0.51) PLK1MAPTLMNAALDH1A1KDM4E
SCHEMBL6855333 0.86 L3MBTL1 (0.55) PLK1MAPTLMNAALDH1A1KDM4E
SCHEMBL6853858 0.86 L3MBTL1 (0.55) PLK1MAPTLMNAALDH1A1KDM4E
SCHEMBL6854901 0.86 ALDH1A1 (0.40) PLK1MAPTLMNAALDH1A1HSD17B10
SCHEMBL6856185 0.85 L3MBTL1 (0.45) PLK1MAPTLMNAALDH1A1KDM4E
SCHEMBL6850076 0.85 MAPT (0.46) PLK1MAPTLMNAALDH1A1KDM4E
SCHEMBL6855784 0.85 MAPT (0.46) PLK1MAPTLMNAALDH1A1KDM4E
SCHEMBL6854165 0.85 MAPT (0.46) PLK1MAPTLMNAALDH1A1KDM4E
SCHEMBL6854118 0.85 L3MBTL1 (0.56) PLK1MAPTLMNAALDH1A1KDM4E

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 7 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