SCHEMBL5815313

SCHEMBL5815313

Cc1cc2c(Cl)nc(-c3ccccn3)nc2s1.Cc1cc2c(NCc3ccc4c(c3)OCCO4)nc(-c3ccccn3)nc2s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 6/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
PDE5A O76074 3/20 0.41
USP1 O94782 1/20 0.41
WDR48 Q8TAF3 1/20 0.41
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CLK1 P49759 1/20 0.39
CLK2 P49760 1/20 0.39
DYRK1A Q13627 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
CHRM4 P08173 1/20 0.38
ALDH1A1 P00352 2/20 0.38
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL5124391 0.95 MEN1 (0.45) HIF1AMEN1KMT2ANPC1PDE5A
SCHEMBL5119043 0.90 USP1 (0.50) HIF1AMEN1KMT2ANPC1PDE5A
SCHEMBL7504877 0.89 MAPT (0.41) MEN1KMT2APDE5AUSP1WDR48
SCHEMBL5128120 0.88 MEN1 (0.45) HIF1AMEN1KMT2ANPC1PDE5A
SCHEMBL7509495 0.87 USP1 (0.46) HIF1AMEN1KMT2ANPC1PDE5A
SCHEMBL7513993 0.86 PDE5A (0.41) HIF1AMEN1KMT2ANPC1PDE5A
SCHEMBL7610471 0.86 METAP1 (0.47) HIF1AMEN1KMT2ANPC1PDE5A
SCHEMBL5118399 0.86 ICAM1 (0.46) HIF1AMEN1KMT2ANPC1PDE5A
SCHEMBL7507644 0.84 MAPT (0.56) HIF1AMEN1KMT2APDE5AMAPT
SCHEMBL5115725 0.84 KMT2A (0.48) HIF1AMEN1KMT2ANPC1PDE5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1685136-A1 USE OF THIENOPYRIMIDINES MERCK PATENT GmbH (DE) 2006-08-02 EP disclosed
WO-2005047292-A1 USE OF THIENOPYRIMIDINES MERCK PATENT GMBH (DE) 2005-05-26 WO disclosed