SCHEMBL6855394

SCHEMBL6855394

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

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.34
CDK8 P49336 1/20 0.31
CCR5 P51681 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP2C9 P11712 1/20 0.30
GRIA2 P42262 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
SCHEMBL6850047 0.90 HPGD (0.32) MEN1KMT2A
SCHEMBL6855372 0.88 CNR2 (0.32) MEN1KMT2A
SCHEMBL6853742 0.88 SMN1; SMN2 (0.33) MEN1KMT2A
SCHEMBL6855687 0.88 CNR2 (0.33) MEN1KMT2A
SCHEMBL6854445 0.83 SLC6A2 (0.35) MEN1KMT2ACYP2C9
SCHEMBL6854194 0.81 APEX1 (0.36) MEN1KMT2A
SCHEMBL6854985 0.81 PIK3R1 (0.34)
SCHEMBL6854989 0.80 PIK3R1 (0.33)
SCHEMBL6855841 0.80 PIK3R1 (0.33)
SCHEMBL6850185 0.78 SIRT1 (0.32)

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 8 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
WO-2000066584-B1 1-AMINO TRIAZOLO¢4,3-a! QUINAZOLINE-5-ONES AND OR -5-THIONES INHIBITING PHOSPHODIESTERASE IV WARNER LAMBERT CO (US) 2001-02-15 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
US-20020119967-A1 Pharmaceutical composition for preventing or treating a disease associated with an excess of IL-12-production WARNER-LAMBERT COMPANY 2002-08-29 US 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-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