SCHEMBL29017822

SCHEMBL29017822

COC1(c2cc(C)cc(-c3nccc(N)c3N)n2)CCOC1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 16/20 0.48
▸ JAK2 O60674 2/20 0.48
▸ JAK1 P23458 1/20 0.39
▸ ALOX5 P09917 3/20 0.34
▸ KDM4E B2RXH2 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ HSD17B10 Q99714 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
SCHEMBL29563106 0.77 TYK2 (0.47) TYK2JAK2JAK1ALOX5KDM4E
SCHEMBL24377774 0.77 TYK2 (0.47) TYK2JAK2JAK1ALOX5KDM4E
SCHEMBL29546485 0.76 TYK2 (0.41) TYK2JAK2JAK1ALOX5
SCHEMBL21329689 0.72 TYK2 (0.45) TYK2JAK2JAK1ALOX5
SCHEMBL29562754 0.72 TYK2 (0.45) TYK2JAK2JAK1ALOX5
SCHEMBL29562794 0.72 TYK2 (0.45) TYK2JAK2JAK1ALOX5
SCHEMBL21330284 0.72 TYK2 (0.45) TYK2JAK2JAK1ALOX5
SCHEMBL21329691 0.72 TYK2 (0.45) TYK2JAK2JAK1ALOX5
SCHEMBL29563074 0.72 TYK2 (0.72) TYK2JAK2JAK1
SCHEMBL29563122 0.72 TYK2 (0.72) 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
CN-116249526-A TYK2 selective inhibitors and uses thereof 南京药石科技股份有限公司 2023-06-09 — — CN disclosed
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