SCHEMBL17833273

SCHEMBL17833273

CNCCCNc1nc(-c2cn(Cc3cccc(Cl)c3)c3c(Cl)cccc23)nc2c(C)cccc12

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.36
MAOB P27338 2/20 0.36
YTHDC1 Q96MU7 2/20 0.36
CDK9 P50750 2/20 0.35
PTGER4 P35408 2/20 0.35
PTGDR Q13258 2/20 0.35
PDE5A O76074 1/20 0.34
P2RX7 Q99572 4/20 0.34
MAPT P10636 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 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
SCHEMBL17829907 0.93 CYP1A2 (0.37) P2RX7
SCHEMBL17829911 0.92 CTNNB1 (0.39) CDK9MAPT
SCHEMBL17833270 0.91 CTNNB1 (0.34) CDK9P2RX7
SCHEMBL17829829 0.90 POLB (0.41) HTR6MAOBCDK9
SCHEMBL17833195 0.87 CYP1A2 (0.39) CDK9
SCHEMBL17833267 0.84 CTNNB1 (0.38)
SCHEMBL17833193 0.84 SRC (0.38) CDK9MAPT
SCHEMBL17829569 0.83 POLB (0.45)
SCHEMBL17833190 0.82 CYP1A2 (0.48) PDE5A
SCHEMBL17833196 0.81 MAPK1 (0.38) CDK9PDE5AP2RX7

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-2016094730-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS SYNERECA PHARMACEUTICALS, INC. (US) 2016-06-16 WO disclosed