SCHEMBL25423769

SCHEMBL25423769

CN(C)c1ncc(C2c3[nH]c4cc(F)c(Cl)cc4c3CCN2c2ncc(F)cn2)cn1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 9/20 0.39
KIF11 P52732 4/20 0.33
MAPT P10636 2/20 0.32
TP53 P04637 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ABCB1 P08183 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
NPSR1 Q6W5P4 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL25425516 0.94 PDE5A (0.41) PDE5AKIF11MAPTTP53SMN1; SMN2
SCHEMBL25422445 0.90 PDE5A (0.41) PDE5AKIF11MAPTTP53SMN1; SMN2
SCHEMBL25424446 0.89 PDE5A (0.41) PDE5AKIF11MAPTTP53SMN1; SMN2
SCHEMBL25427029 0.86 PDE5A (0.35) PDE5AKIF11MAPTTP53SMN1; SMN2
SCHEMBL25424049 0.86 PDE5A (0.45) PDE5AMAPTTP53SMN1; SMN2ABCB1
SCHEMBL25422984 0.85 PDE5A (0.44) PDE5AKIF11MAPTTP53SMN1; SMN2
SCHEMBL25424597 0.85 PDE5A (0.49) PDE5AKIF11TP53ABCG2NPSR1
SCHEMBL25426941 0.85 PDE5A (0.51) PDE5AKIF11MAPTTP53SMN1; SMN2
SCHEMBL25422407 0.84 PDE5A (0.48) PDE5AKIF11ABCB1ABCG2
SCHEMBL25425283 0.84 PDE5A (0.42) PDE5AKIF11MAPTTP53SMN1; SMN2

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-2023130070-A2 CARBOLINE COMPOUNDS AND USE THEREOF PTC THERAPEUTICS, INC. (US) 2023-07-06 WO claimed