SCHEMBL30597983

SCHEMBL30597983

O=C1NCC(C(=O)Nc2ccc3cc[nH]c3n2)N1

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ SLC5A1 P13866 18/20 0.39
▸ ABL1 P00519 1/20 0.35
▸ HPGD P15428 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
SCHEMBL30597964 0.80 SMN1; SMN2 (0.49) ABL1HPGD
SCHEMBL30597949 0.79 SLC5A1 (0.39) SLC5A1ABL1HPGD
SCHEMBL30009820 0.78 HPGD (0.57) ABL1HPGD
SCHEMBL21961535 0.76 CTSC (0.38) ABL1HPGD
SCHEMBL29697316 0.75 ROCK2 (0.51) ABL1HPGD
SCHEMBL21874330 0.71 APP (0.41) HPGD
SCHEMBL30369396 0.65 NPC1 (0.60) —
SCHEMBL25041464 0.64 CHRNB2 (0.37) SLC5A1
SCHEMBL25042457 0.64 CHRNB2 (0.37) SLC5A1
SCHEMBL21961534 0.63 GSK3B (0.40) —

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-4010080-B1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF CANCER ARTIOS PHARMA LTD (GB) 2023-09-27 — — EP claimed
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