SCHEMBL6854638

SCHEMBL6854638

CN(C)C(c1ccc(C#N)cc1)n1c(=S)c2cc(Br)ccc2n2cnnc12

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PIK3R1 P27986 1/20 0.33
PIK3CA P42336 1/20 0.33
CYP19A1 P11511 2/20 0.31

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
SCHEMBL6858373 0.89 PARP15 (0.33) CYP19A1
SCHEMBL6854433 0.89 PIK3R1 (0.36) PIK3R1PIK3CACYP19A1
SCHEMBL6856311 0.78 SMN1; SMN2 (0.33)
SCHEMBL6858343 0.77 USP14 (0.32)
SCHEMBL6854985 0.72 PIK3R1 (0.34) PIK3R1PIK3CA
SCHEMBL6850185 0.72 SIRT1 (0.32)
SCHEMBL6855841 0.72 PIK3R1 (0.33) PIK3R1PIK3CA
SCHEMBL6854989 0.72 PIK3R1 (0.33) PIK3R1PIK3CA
SCHEMBL6854091 0.65 ALDH1A1 (0.37) PIK3R1PIK3CA
SCHEMBL6850132 0.63 USP14 (0.33)

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
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