SCHEMBL29156455

SCHEMBL29156455

COc1c(-c2cc(P(=O)(C3CCCCC3)C3CCCCC3)n(C)n2)ccnc1N

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ JMJD6 Q6NYC1 1/20 0.33
▸ PDE7A Q13946 2/20 0.31
▸ RPS6KB1 P23443 1/20 0.31
▸ AKT1 P31749 1/20 0.31
▸ PDE4D Q08499 1/20 0.30

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
SCHEMBL26983725 0.95 JMJD6 (0.30) JMJD6RPS6KB1AKT1
SCHEMBL30119774 0.82 DYRK1A (0.30) —
SCHEMBL26983719 0.78 PIM1 (0.33) —
SCHEMBL30050566 0.78 PIM1 (0.33) —
SCHEMBL30119819 0.76 RET (0.33) RPS6KB1AKT1
SCHEMBL30780318 0.73 TYK2 (0.43) —
SCHEMBL26983744 0.73 TYK2 (0.43) —
SCHEMBL30780336 0.72 TYK2 (0.36) —
SCHEMBL30780279 0.72 PARP1 (0.31) —
SCHEMBL30780359 0.71 TYK2 (0.36) —

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
CN-117362343-A Compounds having selective TYK2/JAK1 inhibiting activity, pharmaceutical compositions containing the same and uses thereof 爱科诺生物医药(香港)有限公司 2024-01-09 — — CN disclosed
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