SCHEMBL31337009

SCHEMBL31337009

Cn1ncc2c(NCc3ccncc3)nc(-c3ccccn3)nc21

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.55
NPC1 O15118 1/20 0.55
KMT2A Q03164 1/20 0.55
PDE5A O76074 1/20 0.54
HTT P42858 1/20 0.52
PDE2A O00408 4/20 0.50
BCDIN3D Q7Z5W3 4/20 0.48
HTR2C P28335 1/20 0.47
TP53 P04637 3/20 0.47
HIF1A Q16665 3/20 0.45

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
SCHEMBL23598948 1.00 MEN1 (0.55) MEN1NPC1KMT2APDE5AHTT
SCHEMBL23579805 0.93 KMT2A (0.63) MEN1NPC1KMT2APDE5AHTT
SCHEMBL30032797 0.93 KMT2A (0.63) MEN1NPC1KMT2APDE5AHTT
SCHEMBL31336930 0.89 PDE2A (0.65) MEN1NPC1KMT2APDE5AHTT
SCHEMBL31336960 0.89 HIF1A (0.56) MEN1NPC1KMT2APDE5AHTT
SCHEMBL23579560 0.89 PDE2A (0.65) MEN1NPC1KMT2APDE5AHTT
SCHEMBL23579889 0.89 HIF1A (0.56) MEN1NPC1KMT2APDE5AHTT
SCHEMBL31336958 0.88 BCDIN3D (0.59) MEN1NPC1KMT2APDE5AHTT
SCHEMBL23579917 0.88 BCDIN3D (0.59) MEN1NPC1KMT2APDE5AHTT
SCHEMBL23580405 0.87 HIF1A (0.51) MEN1NPC1KMT2APDE5AHTT

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
CN-115151550-B External nucleotide pyrophosphatase/phosphodiesterase 1 (ENPP 1) modulators and uses thereof 桑福德·伯纳姆·普雷比医学发现研究所 2024-11-22 CN disclosed