SCHEMBL25244196

SCHEMBL25244196

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

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31

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
SCHEMBL25286226 0.84 CYP1A2 (0.46) CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL17372415 0.84 CYP1A2 (0.30) CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL17372419 0.84 CYP1A2 (0.30) CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL29278769 0.83 SPHK1 (0.32) CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL28960555 0.76 MEN1 (0.38) CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL28688018 0.74 — —
SCHEMBL17372402 0.70 CYP1A2 (0.34) CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL20117 0.69 CYP1A2 (0.45) CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL29124870 0.69 SYK (0.37) CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL17372418 0.68 CYP1A2 (0.46) CYP1A2CYP3A4CYP2D6CYP2C19

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
WO-2023116804-A1 LIPID COMPOUND AND LIPID NANOPARTICLE COMPOSITION 苏州艾博生物科技有限公司 2023-06-29 — — WO disclosed
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