SCHEMBL29544808

SCHEMBL29544808

COc1cc(Nc2cc(-c3nn4c(c3Nc3cccc(Cl)c3OC)C(=O)NCC4)ccn2)ncn1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 17/20 0.39
JAK2 O60674 2/20 0.37
CSNK1D P48730 1/20 0.34
CSNK1E P49674 1/20 0.34
RPS6KA2 Q15349 1/20 0.33
GRM5 P41594 1/20 0.33
GRM1 Q13255 1/20 0.33
JAK1 P23458 1/20 0.33
JAK3 P52333 1/20 0.33

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
SCHEMBL29544662 0.89 TYK2 (0.39) TYK2JAK2JAK1JAK3
SCHEMBL29545263 0.88 TYK2 (0.49) TYK2
SCHEMBL29545250 0.88 TYK2 (0.40) TYK2
SCHEMBL29544583 0.88 TYK2 (0.40) TYK2JAK2JAK1JAK3
SCHEMBL29544410 0.87 TYK2 (0.38) TYK2
SCHEMBL29544949 0.87 TYK2 (0.40) TYK2
SCHEMBL29544996 0.87 TYK2 (0.40) TYK2
SCHEMBL29544804 0.86 TYK2 (0.40) TYK2
SCHEMBL29544530 0.86 TYK2 (0.37) TYK2
SCHEMBL29544491 0.83 BUB1 (0.38) TYK2

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-2022072634-A1 BICYCLIC COMPOUNDS FOR USE IN THE TREATMENT CANCER SCORPION THERAPEUTICS, INC. (US) 2022-04-07 WO disclosed