SCHEMBL5800802

SCHEMBL5800802

c1ccc(CCNc2nc(-c3ccno3)nc3sc4c(c23)CCCC4)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 15/20 0.52
PRKCZ Q05513 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.49
HTT P42858 2/20 0.49
MEN1 O00255 2/20 0.49
MAPT P10636 2/20 0.49
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 1/20 0.49
NPC1 O15118 1/20 0.49
TP53 P04637 1/20 0.49
GAA P10253 1/20 0.49
HPGD P15428 1/20 0.49
RAB9A P51151 1/20 0.49
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
PTGS2 P35354 1/20 0.48

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
SCHEMBL5801076 0.90 PDE5A (0.57) PRKCIPRKCZSMN1; SMN2HTTMEN1
SCHEMBL5802431 0.86 PRKCI (0.47) PRKCIPRKCZSMN1; SMN2HTTALDH1A1
SCHEMBL5802365 0.83 MEN1 (0.54) PRKCISMN1; SMN2HTTMEN1MAPT
SCHEMBL5781941 0.83 PRKCI (0.74) PRKCIPRKCZ
SCHEMBL5777737 0.82 METAP1 (0.54) PRKCIPRKCZSMN1; SMN2HTTMEN1
SCHEMBL7519213 0.81 PRKCI (0.44) PRKCIPRKCZSMN1; SMN2HTTALDH1A1
SCHEMBL5782225 0.81 KDM4E (0.63) PRKCIPRKCZSMN1; SMN2MEN1MAPT
SCHEMBL5119781 0.80 PRKCI (0.48) PRKCISMN1; SMN2HTTKDM4EALDH1A1
SCHEMBL13164900 0.79 SMN1; SMN2 (0.73) PRKCISMN1; SMN2HTTMEN1MAPT
SCHEMBL5799122 0.79 MAPT (0.48) PRKCISMN1; SMN2HTTMEN1MAPT

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 4 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
EP-0920431-A1 THIENOPYRIMIDINES MERCK PATENT GmbH (DE) 1999-06-09 EP disclosed
WO-1998006722-A1 THIENOPYRIMIDINES MERCK PATENT GMBH (DE) 1998-02-19 WO disclosed