SCHEMBL29563020

SCHEMBL29563020

CO[C@@]1(c2cc(C(F)F)cc(-c3cc(C)n4cnc(N)cc34)n2)CCOC1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 16/20 0.59
▸ JAK2 O60674 2/20 0.59
▸ JAK1 P23458 1/20 0.36
▸ MTOR P42345 1/20 0.30
▸ RICTOR Q6R327 1/20 0.30
▸ RPTOR Q8N122 1/20 0.30
▸ MAPKAP1 Q9BPZ7 1/20 0.30
▸ MLST8 Q9BVC4 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
SCHEMBL29563039 1.00 TYK2 (0.59) TYK2JAK2JAK1MTORRICTOR
SCHEMBL29563074 0.89 TYK2 (0.72) TYK2JAK2JAK1
SCHEMBL29563122 0.89 TYK2 (0.72) TYK2JAK2JAK1
SCHEMBL29562928 0.85 TYK2 (0.82) TYK2JAK2JAK1
SCHEMBL29563240 0.85 TYK2 (0.82) TYK2JAK2JAK1
SCHEMBL29562590 0.85 TYK2 (0.47) TYK2JAK2JAK1MTOR
SCHEMBL29562696 0.85 TYK2 (0.47) TYK2JAK2JAK1MTOR
SCHEMBL29563007 0.84 TYK2 (0.71) TYK2JAK2JAK1MTOR
SCHEMBL29563133 0.84 TYK2 (0.71) TYK2JAK2JAK1MTOR
SCHEMBL29563121 0.84 TYK2 (0.65) TYK2JAK2JAK1

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-2022109580-A1 INHIBITION OF TYK2 DEPENDENT SIGNALING PATHWAYS JANSSEN PHARMACEUTICA NV (BE) 2022-05-27 — — WO disclosed
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