SCHEMBL6854985

SCHEMBL6854985

N#Cc1ccc(C(N2CCCC2)n2c(=O)c3cc(Br)ccc3n3cnnc23)cc1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3R1 P27986 1/20 0.34
PIK3CA P42336 1/20 0.34
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 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
SCHEMBL6854989 0.99 PIK3R1 (0.33) PIK3R1PIK3CA
SCHEMBL6855841 0.99 PIK3R1 (0.33) PIK3R1PIK3CA
SCHEMBL6854091 0.90 ALDH1A1 (0.37) PIK3R1PIK3CACYP3A4CYP2D6CYP2C19
SCHEMBL6850073 0.89 TRPV1 (0.36) CYP3A4CYP2D6CYP2C19
SCHEMBL6850132 0.89 USP14 (0.33) CYP3A4CYP2D6CYP2C19
SCHEMBL6855259 0.89 USP14 (0.35) CYP3A4CYP2D6CYP2C19
SCHEMBL6855901 0.86 USP14 (0.38) PIK3CA
SCHEMBL6850047 0.83 HPGD (0.32)
SCHEMBL7526734 0.83 PIK3R1 (0.35) PIK3R1PIK3CA
SCHEMBL6854433 0.82 PIK3R1 (0.36) PIK3R1PIK3CA

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 12 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
WO-2002022112-A9 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING A DISEASE ASSOCIATED WITH AN EXCESS OF IL-12 PRODUCTION WARNER LAMBERT CO (US) 2002-06-06 WO disclosed
EP-1199074-A1 Pharmaceutical composition for preventing or treating a disease associated with an excess of il-12 production WARNER-LAMBERT COMPANY (US) 2002-04-24 EP disclosed
EP-1188438-A1 Pharmaceutical composition for preventing or treating a disease associated with an excess of Il-12 production WARNER-LAMBERT COMPANY (US) 2002-03-20 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