SCHEMBL5775066

SCHEMBL5775066

COc1ccc(CNc2ncc(C#N)c3sc(-c4ncc[nH]4)cc23)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.40
PDE5A O76074 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 1/20 0.38
POLB P06746 2/20 0.38
EGFR P00533 1/20 0.38
NR2F2 P24468 1/20 0.38
PRKCQ Q04759 1/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 2/20 0.36
MAP2K4 P45985 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
VNN1 O95497 2/20 0.36
DYRK1A Q13627 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
CHRM4 P08173 1/20 0.36
WNT3A P56704 1/20 0.35
BLM P54132 1/20 0.35

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
SCHEMBL13606457 0.81 PDE5A (0.45) HTTPDE5AMEN1KMT2ANPC1
SCHEMBL4495080 0.81 PDE5A (0.44) HTTPDE5AMEN1KMT2ANPC1
SCHEMBL4498229 0.81 PDE5A (0.44) HTTPDE5AMEN1KMT2ANPC1
SCHEMBL4503766 0.79 PDE5A (0.39) HTTPDE5AMEN1KMT2ANPC1
SCHEMBL4503764 0.79 NPC1 (0.40) HTTPDE5AMEN1KMT2ANPC1
SCHEMBL4497191 0.79 PDE5A (0.45) HTTPDE5AMEN1KMT2ANPC1
SCHEMBL13606493 0.77 CTSL (0.44) HTTPDE5AMEN1KMT2ANPC1
SCHEMBL13606496 0.76 CCNE2 (0.41) HTTPDE5AMEN1KMT2ANPC1
SCHEMBL4509348 0.76 PDE5A (0.45) HTTPDE5AMEN1KMT2ANPC1
SCHEMBL11888473 0.71 EGFR (0.47) HTTPDE5AMEN1KMT2ANPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1556053-A4 ANTIINFLAMMATION AGENTS AMGEN INC (US) 2006-04-19 EP disclosed
EP-1556053-A1 ANTIINFLAMMATION AGENTS Amgen Inc. (US) 2005-07-27 EP disclosed
WO-2004041285-A1 ANTIINFLAMMATION AGENTS AMGEN INC. (US) 2004-05-21 WO disclosed