SCHEMBL6855310

SCHEMBL6855310

O=c1c2cc(Br)ccc2n2c(N3CCCC3)nnc2n1CC(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 4/20 0.37
IDO1 P14902 1/20 0.36
METAP2 P50579 10/20 0.36
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
ALDH1A1 P00352 1/20 0.33
RORA P35398 1/20 0.33
RORC P51449 1/20 0.33
RORB Q92753 1/20 0.33
MEN1 O00255 1/20 0.32
RAD52 P43351 1/20 0.32
KMT2A Q03164 1/20 0.32

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 0.85 PLK1 (0.41) PLK1LMNATSHRALDH1A1MEN1
SCHEMBL6850264 0.84 PLK1 (0.36) PLK1IDO1LMNATSHRALDH1A1
SCHEMBL6855405 0.83 ALDH1A1 (0.48) PLK1IDO1LMNATSHRALDH1A1
SCHEMBL6850125 0.83 L3MBTL1 (0.48) PLK1LMNATSHRALDH1A1MEN1
SCHEMBL6850094 0.83 ALDH1A1 (0.43) PLK1LMNATSHRALDH1A1RORA
SCHEMBL6854138 0.83 MAPK8 (0.42) PLK1LMNATSHRRORARORC
SCHEMBL6850025 0.83 ALDH1A1 (0.47) PLK1IDO1LMNATSHRALDH1A1
SCHEMBL6854145 0.82 L3MBTL1 (0.47) PLK1LMNATSHRALDH1A1MEN1
SCHEMBL6850007 0.82 L3MBTL1 (0.47) PLK1LMNATSHRALDH1A1MEN1
SCHEMBL6850222 0.82 MAPT (0.44) PLK1LMNATSHRALDH1A1KMT2A

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