SCHEMBL2786539

SCHEMBL2786539

CCCn1ncc2c(Cl)nc(Cl)nc21

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE1A P54750 2/20 0.42
PDE1B Q01064 2/20 0.42
PDE1C Q14123 2/20 0.42
PDE2A O00408 3/20 0.41
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
HSP90AA1 P07900 4/20 0.36
TRAP1 Q12931 4/20 0.36
HSP90AB1 P08238 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSP90B1 P14625 1/20 0.34
GAA P10253 1/20 0.34
ABL1 P00519 1/20 0.34
BCR P11274 1/20 0.34

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
SCHEMBL2804826 0.90 PDE2A (0.39) PDE2A
SCHEMBL30095837 0.90 PDE2A (0.39) PDE2A
SCHEMBL30748233 0.89
SCHEMBL2189832 0.86 ADORA3 (0.43) PDE2AHSP90AA1TRAP1HSP90AB1ALDH1A1
SCHEMBL25876283 0.85 PDE1A (0.44) PDE1APDE1BPDE1CPDE2ANPC1
SCHEMBL17926576 0.85 HSP90AA1 (0.39) PDE2AHSP90AA1TRAP1HSP90AB1ALDH1A1
SCHEMBL7919917 0.83 CYP1A2 (0.39) PDE2AHSP90AA1TRAP1HSP90AB1KMT2A
SCHEMBL21282879 0.81 SRC (0.45) PDE1APDE1BPDE1CABL1
SCHEMBL16981657 0.79 PDE9A (0.44) PDE1CPDE2AHSP90AA1TRAP1
SCHEMBL31051055 0.79 PDE9A (0.44) PDE1CPDE2AHSP90AA1TRAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010118367-A2 ANTIVIRAL PYRIMIDINES PROGENICS PHARMACEUTICALS, INC. (US) 2010-10-14 WO disclosed