SCHEMBL6855901

SCHEMBL6855901

CNc1ccc2c(c1)c(=O)n(C(c1ccc(C#N)cc1)N1CCCC1)c1nncn21

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
USP14 P54578 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.31
DGKI O75912 1/20 0.30
DGKA P23743 1/20 0.30
DGKZ Q13574 1/20 0.30
PIK3CA P42336 1/20 0.30
PRKDC P78527 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
SCHEMBL6850132 0.88 USP14 (0.33) USP14SMN1; SMN2DGKIDGKADGKZ
SCHEMBL6855259 0.86 USP14 (0.35) USP14
SCHEMBL6850073 0.86 TRPV1 (0.36) SMN1; SMN2
SCHEMBL6854985 0.86 PIK3R1 (0.34) PIK3CA
SCHEMBL6854989 0.85 PIK3R1 (0.33) USP14PIK3CA
SCHEMBL6854445 0.73 SLC6A2 (0.35) SMN1; SMN2
SCHEMBL6854194 0.72 APEX1 (0.36) SMN1; SMN2
SCHEMBL6856311 0.71 SMN1; SMN2 (0.33) SMN1; SMN2
SCHEMBL7002368 0.71 DHFR (0.31)
SCHEMBL6858343 0.70 USP14 (0.32) USP14SMN1; 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 6 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
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