SCHEMBL7002152

SCHEMBL7002152

N#Cc1ccc(Cn2c(=O)c3cc(Cl)ccc3n3c(N4CCCCCC4)nnc23)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.42
HRH4 Q9H3N8 1/20 0.41
MAPT P10636 3/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
HTT P42858 2/20 0.38
CYP3A4 P08684 3/20 0.37
DPP4 P27487 2/20 0.37
HRH3 Q9Y5N1 1/20 0.36
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
PARG Q86W56 1/20 0.35
PLK1 P53350 1/20 0.35
TP53 P04637 1/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL7526733 0.92 PIK3R1 (0.42) L3MBTL1HRH4MAPTLMNACYP3A4
SCHEMBL6853905 0.91 L3MBTL1 (0.47) L3MBTL1MAPTLMNAALDH1A1KDM4E
SCHEMBL6855837 0.90 PIK3R1 (0.44) L3MBTL1MAPTLMNAALDH1A1KDM4E
SCHEMBL6854824 0.90 PIK3R1 (0.44) L3MBTL1MAPTLMNAALDH1A1KDM4E
SCHEMBL6855251 0.89 MAPT (0.38) L3MBTL1MAPTLMNAALDH1A1KDM4E
SCHEMBL6850124 0.89 MAPT (0.46) L3MBTL1MAPTLMNAALDH1A1KDM4E
SCHEMBL6854981 0.89 PIK3R1 (0.45) L3MBTL1MAPTLMNAALDH1A1KDM4E
SCHEMBL6849937 0.89 TP53 (0.39) L3MBTL1MAPTALDH1A1KDM4EHTT
SCHEMBL6854500 0.87 L3MBTL1 (0.46) L3MBTL1MAPTLMNAALDH1A1KDM4E
SCHEMBL6855322 0.87 ALDH1A1 (0.48) L3MBTL1HRH4MAPTLMNAALDH1A1

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 3 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
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