SCHEMBL30358558

SCHEMBL30358558

NNC(=O)n1ccc2cncnc21

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.40
MKNK2 Q9HBH9 7/20 0.38
ENPP1 P22413 4/20 0.37
ENPP3 O14638 5/20 0.37
P2RX7 Q99572 1/20 0.36
IRAK4 Q9NWZ3 4/20 0.35
MKNK1 Q9BUB5 1/20 0.34
SLC22A12 Q96S37 1/20 0.33

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
Hydrochloric Acid SCHEMBL30358557 0.98 PARP1 (0.39) PARP1MKNK2ENPP1ENPP3P2RX7
SCHEMBL31365162 0.84 ENPP3 (0.38) PARP1MKNK2ENPP1ENPP3IRAK4
SCHEMBL30319582 0.82 PARP1 (0.58) PARP1MKNK2MKNK1SLC22A12
Hydrochloric Acid SCHEMBL30319541 0.81 PARP1 (0.57) PARP1MKNK2MKNK1SLC22A12
SCHEMBL29665757 0.80 MKNK2 (0.41) PARP1MKNK2ENPP1ENPP3IRAK4
SCHEMBL4417290 0.80 MKNK2 (0.41) PARP1MKNK2ENPP1ENPP3IRAK4
SCHEMBL30564558 0.79 NOTUM (0.43) PARP1MKNK2IRAK4MKNK1SLC22A12
SCHEMBL30358554 0.79 ENPP3 (0.35) PARP1MKNK2ENPP1ENPP3IRAK4
SCHEMBL30172790 0.78 MKNK2 (0.40) PARP1MKNK2IRAK4MKNK1SLC22A12
Hydrochloric Acid SCHEMBL30358580 0.74 MKNK2 (0.39) PARP1MKNK2MKNK1

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