SCHEMBL6850264

SCHEMBL6850264

C#CCn1c(=O)c2cc(Br)ccc2n2c(N3CCCC3)nnc12

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 2/20 0.36
ADORA2B P29275 2/20 0.36
MAOB P27338 1/20 0.36
ADORA2A P29274 1/20 0.36
TSHR P16473 2/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
DPP4 P27487 1/20 0.33
ALDH1A1 P00352 2/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
PARG Q86W56 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
RAD52 P43351 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
ADORA3 P0DMS8 2/20 0.31
IDO1 P14902 1/20 0.30

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
SCHEMBL6855741 0.84 PLK1 (0.41) PLK1TSHRLMNAALDH1A1MEN1
SCHEMBL6855310 0.84 PLK1 (0.37) PLK1TSHRLMNAALDH1A1MEN1
SCHEMBL6854138 0.82 MAPK8 (0.42) PLK1TSHRLMNACYP3A4DPP4
SCHEMBL6850125 0.82 L3MBTL1 (0.48) PLK1ADORA2BTSHRLMNACYP3A4
SCHEMBL6850094 0.82 ALDH1A1 (0.43) PLK1TSHRLMNAALDH1A1CNR1
SCHEMBL6850222 0.81 MAPT (0.44) PLK1TSHRLMNAALDH1A1KMT2A
SCHEMBL6850007 0.81 L3MBTL1 (0.47) PLK1ADORA2BTSHRLMNACYP3A4
SCHEMBL6854145 0.81 L3MBTL1 (0.47) PLK1ADORA2BTSHRLMNACYP3A4
SCHEMBL6850131 0.81 LMNA (0.43) PLK1TSHRLMNAALDH1A1KMT2A
SCHEMBL6849963 0.81 MAPT (0.39) PLK1TSHRLMNAALDH1A1SMN1; SMN2

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