SCHEMBL29278769

SCHEMBL29278769

CSc1nc(NC(=O)[C@@H](N)[C@@H](C)O)c2nc[nH]c2n1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SPHK1 Q9NYA1 4/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 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
SCHEMBL17372419 0.91 CYP1A2 (0.30) CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL17372415 0.91 CYP1A2 (0.30) CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL25244196 0.83 CYP1A2 (0.31) CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL29278770 0.82 CYP1A2 (0.49) CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL31511878 0.82 CYP1A2 (0.49) CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL28688018 0.80 — —
SCHEMBL29184339 0.79 SPHK1 (0.36) SPHK1
SCHEMBL28960555 0.78 MEN1 (0.38) CYP1A2CYP3A4CYP2D6CYP2C19MEN1
SCHEMBL29157619 0.76 CIT (0.37) —
SCHEMBL26603870 0.74 ADORA2A (0.34) SPHK1MEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118613500-A Modified mRNA treatment 沙塔克实验室有限公司 2024-09-06 — — CN disclosed
CN-117500823-A Chimeric proteins in autoimmunity 沙塔克实验室有限公司 2024-02-02 — — CN disclosed
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