SCHEMBL26629378

SCHEMBL26629378

CCc1nc(N2C[C@H]3C[C@@H]2CN3C(=O)O)ccc1Nc1ncc(C(F)(F)F)c(Cl)n1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 3/20 0.39
▸ LRRK2 Q5S007 8/20 0.37
▸ JAK1 P23458 2/20 0.36
▸ JAK2 O60674 1/20 0.36
▸ MAP3K12 Q12852 1/20 0.36
▸ PTK2 Q05397 4/20 0.35
▸ FLT4 P35916 3/20 0.35
▸ ALK Q9UM73 3/20 0.34
▸ BTK Q06187 1/20 0.34

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
SCHEMBL30635671 0.90 HDAC1 (0.45) TYK2LRRK2JAK1JAK2ALK
SCHEMBL25204632 0.86 LRRK2 (0.39) TYK2LRRK2MAP3K12ALK
SCHEMBL26629481 0.85 PTK2 (0.40) LRRK2JAK1PTK2FLT4ALK
SCHEMBL25198593 0.85 PTK2 (0.40) LRRK2JAK1PTK2FLT4ALK
SCHEMBL26629226 0.82 MAP3K12 (0.37) TYK2LRRK2JAK1MAP3K12PTK2
SCHEMBL26629380 0.82 ALK (0.40) TYK2LRRK2JAK1PTK2FLT4
SCHEMBL25235038 0.79 LRRK2 (0.38) TYK2LRRK2MAP3K12
SCHEMBL25207066 0.79 LRRK2 (0.38) TYK2LRRK2MAP3K12
SCHEMBL30412481 0.79 LRRK2 (0.38) TYK2LRRK2MAP3K12
SCHEMBL25202448 0.79 LRRK2 (0.43) LRRK2ALK

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-2023215494-A1 THIOPHENE ULK1/2 INHIBITORS AND THEIR USE THEREOF ERASCA, INC. (US) 2023-11-09 — — WO disclosed
Send feedback