SCHEMBL29545774

SCHEMBL29545774

COc1c(Cl)cccc1Nc1c(-c2ccnc(C(F)F)c2)nn2c1C(=O)NCC2

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 15/20 0.35
BUB1 O43683 3/20 0.33
EGFR P00533 1/20 0.32
IDO1 P14902 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
SCHEMBL29544530 0.90 TYK2 (0.37) TYK2EGFRIDO1
SCHEMBL29544410 0.88 TYK2 (0.38) TYK2EGFRIDO1
SCHEMBL29544491 0.85 BUB1 (0.38) TYK2BUB1EGFR
SCHEMBL29545250 0.83 TYK2 (0.40) TYK2
SCHEMBL29544583 0.83 TYK2 (0.40) TYK2
SCHEMBL29545263 0.83 TYK2 (0.49) TYK2
SCHEMBL29544808 0.83 TYK2 (0.39) TYK2
SCHEMBL29545624 0.83 TYK2 (0.36) TYK2EGFRIDO1
SCHEMBL29544949 0.83 TYK2 (0.40) TYK2
SCHEMBL29544662 0.83 TYK2 (0.39) 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