SCHEMBL6854631

SCHEMBL6854631

CN(C)c1nnc2n(Cc3ccc(C#N)cc3)c(=S)c3cc(Br)ccc3n12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3R1 P27986 3/20 0.44
PIK3CA P42336 3/20 0.44
SRC P12931 2/20 0.34
PRKACA P17612 1/20 0.34
PRKACG P22612 1/20 0.34
PRKACB P22694 1/20 0.34
CYP19A1 P11511 3/20 0.34
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
IDO1 P14902 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
CNR2 P34972 2/20 0.32
MAPT P10636 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
SLC2A1 P11166 1/20 0.31
SLC2A2 P11168 1/20 0.31
SLC2A3 P11169 1/20 0.31
NQO2 P16083 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 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
SCHEMBL6858257 0.89 PIK3R1 (0.36) PIK3R1PIK3CASRCCYP19A1CCNC
SCHEMBL6854427 0.88 PIK3R1 (0.48) PIK3R1PIK3CASRCPRKACAPRKACG
SCHEMBL7463931 0.82 PIK3R1 (0.34) PIK3R1PIK3CA
SCHEMBL6855622 0.81 MAPT (0.42) PIK3R1PIK3CAMAPTPTGDR2PLK1
SCHEMBL6850084 0.78 MAPT (0.39) PIK3R1PIK3CAMAPTNQO2PLK1
SCHEMBL6854257 0.77 MAPT (0.46) PIK3R1PIK3CACYP19A1MAPTPTGDR2
SCHEMBL6858338 0.77 MAPT (0.39) PIK3R1PIK3CAMAPTPTGDR2SMN1; SMN2
SCHEMBL6855341 0.76 MAPT (0.51) PIK3R1PIK3CAMAPTNQO2TSHR
SCHEMBL6994277 0.75 MAPT (0.40) PIK3R1PIK3CACNR2MAPTLMNA
SCHEMBL6994283 0.75 MAPT (0.40) PIK3R1PIK3CACNR2MAPTLMNA

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