SCHEMBL29563133

SCHEMBL29563133

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

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 16/20 0.71
▸ JAK2 O60674 2/20 0.71
▸ JAK1 P23458 1/20 0.42
▸ PIK3R1 P27986 2/20 0.33
▸ PIK3CA P42336 1/20 0.32
▸ MTOR P42345 1/20 0.32
▸ RAF1 P04049 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
SCHEMBL29563007 1.00 TYK2 (0.71) TYK2JAK2JAK1PIK3R1PIK3CA
SCHEMBL29562928 0.93 TYK2 (0.82) TYK2JAK2JAK1RAF1
SCHEMBL29563240 0.93 TYK2 (0.82) TYK2JAK2JAK1RAF1
SCHEMBL29562650 0.90 TYK2 (0.66) TYK2JAK2JAK1
SCHEMBL29563732 0.90 TYK2 (0.86) TYK2JAK2JAK1PIK3R1PIK3CA
SCHEMBL29562814 0.85 TYK2 (0.67) TYK2JAK2JAK1
SCHEMBL29562640 0.85 TYK2 (0.69) TYK2JAK2JAK1PIK3CA
SCHEMBL29563329 0.85 TYK2 (0.69) TYK2JAK2JAK1PIK3CA
SCHEMBL29563020 0.84 TYK2 (0.59) TYK2JAK2JAK1MTOR
SCHEMBL29563039 0.84 TYK2 (0.59) TYK2JAK2JAK1MTOR

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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