SCHEMBL6850132

SCHEMBL6850132

Cc1ccc2c(c1)c(=O)n(C(c1ccc(C#N)cc1)N1CCCC1)c1nncn21

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP14 P54578 4/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
PARP15 Q460N3 1/20 0.32
PARP14 Q460N5 1/20 0.32
PARP10 Q53GL7 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
PARP2 Q9UGN5 1/20 0.32
DGKI O75912 1/20 0.31
DGKA P23743 1/20 0.31
DGKZ Q13574 1/20 0.31
SLC6A3 Q01959 1/20 0.31
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30
KDM1A O60341 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL6855259 0.89 USP14 (0.35) USP14CYP3A4CYP2D6CYP2C19
SCHEMBL6854985 0.89 PIK3R1 (0.34) CYP3A4CYP2D6CYP2C19
SCHEMBL6850073 0.89 TRPV1 (0.36) SMN1; SMN2PARP15PARP14PARP10TNKS2
SCHEMBL6855901 0.88 USP14 (0.38) USP14SMN1; SMN2DGKIDGKADGKZ
SCHEMBL6854989 0.88 PIK3R1 (0.33) USP14
SCHEMBL6854194 0.83 APEX1 (0.36) SMN1; SMN2PARP15PARP14PARP10TNKS2
SCHEMBL6856311 0.83 SMN1; SMN2 (0.33) SMN1; SMN2PARP15PARP14PARP10TNKS2
SCHEMBL7002368 0.80 DHFR (0.31)
SCHEMBL6849986 0.76 APEX1 (0.35) SMN1; SMN2PARP15PARP14PARP10TNKS2
SCHEMBL6858373 0.73 PARP15 (0.33) PARP15PARP14PARP10TNKS2PARP2

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 9 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
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