SCHEMBL30358554

SCHEMBL30358554

CCNNC(=O)n1ccc2cncnc21

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 4/20 0.35
ENPP1 P22413 4/20 0.35
MKNK2 Q9HBH9 4/20 0.35
IRAK4 Q9NWZ3 8/20 0.34
PARP1 P09874 1/20 0.33
HDAC2 Q92769 1/20 0.32
SLC22A12 Q96S37 1/20 0.32

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
SCHEMBL31365162 0.81 ENPP3 (0.38) ENPP3ENPP1MKNK2IRAK4PARP1
SCHEMBL30358558 0.79 PARP1 (0.40) ENPP3ENPP1MKNK2IRAK4PARP1
Hydrochloric Acid SCHEMBL30358557 0.77 PARP1 (0.39) ENPP3ENPP1MKNK2IRAK4PARP1
SCHEMBL30564558 0.76 NOTUM (0.43) MKNK2IRAK4PARP1SLC22A12
SCHEMBL30172790 0.76 MKNK2 (0.40) MKNK2IRAK4PARP1SLC22A12
SCHEMBL4417290 0.75 MKNK2 (0.41) ENPP3ENPP1MKNK2IRAK4PARP1
SCHEMBL29665757 0.75 MKNK2 (0.41) ENPP3ENPP1MKNK2IRAK4PARP1
SCHEMBL30319582 0.73 PARP1 (0.58) MKNK2PARP1SLC22A12
SCHEMBL24205666 0.73 ENPP3 (0.38) ENPP3ENPP1SLC22A12
Hydrochloric Acid SCHEMBL30319541 0.72 PARP1 (0.57) MKNK2PARP1SLC22A12

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
EP-4181963-A1 DRUG DELIVERY SYSTEM FOR LOCALLY DELIVERING THERAPEUTIC AGENTS AND USES THEREOF Coval Biopharma (Shanghai) Co., Ltd. (CN) 2023-05-24 EP disclosed