SCHEMBL24615420

SCHEMBL24615420

COc1cc(-c2cc3c(N4CC5CCC(C4)N5C(=O)[C@@H]4C[C@H]4F)ccnn3c2)ncn1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 7/20 0.41
JAK2 O60674 6/20 0.41
JAK1 P23458 6/20 0.41
JAK3 P52333 3/20 0.38
KIT P10721 4/20 0.34
SMARCA2 P51531 1/20 0.34
SMARCA4 P51532 1/20 0.34
PDK1 Q15118 1/20 0.33
PDK2 Q15119 1/20 0.33
PDK3 Q15120 1/20 0.33
PDK4 Q16654 1/20 0.33
MKNK1 Q9BUB5 1/20 0.32
RET P07949 1/20 0.32
TRPC6 Q9Y210 2/20 0.32
CYP17A1 P05093 1/20 0.32
DPP4 P27487 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP7 Q9UHL4 1/20 0.31
MCHR1 Q99705 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
SCHEMBL24615424 0.89 TYK2 (0.41) TYK2JAK2JAK1JAK3KIT
SCHEMBL24615367 0.89 TYK2 (0.42) TYK2JAK2JAK1JAK3KIT
SCHEMBL24615600 0.88 JAK1 (0.40) TYK2JAK2JAK1JAK3KIT
SCHEMBL29772862 0.88 JAK1 (0.44) TYK2JAK2JAK1JAK3KIT
SCHEMBL24615583 0.88 JAK1 (0.44) TYK2JAK2JAK1JAK3KIT
SCHEMBL24615601 0.87 TYK2 (0.41) TYK2JAK2JAK1JAK3SMARCA2
SCHEMBL24615598 0.87 JAK1 (0.42) TYK2JAK2JAK1JAK3KIT
SCHEMBL24615368 0.85 TYK2 (0.41) TYK2JAK2JAK1JAK3KIT
SCHEMBL29772821 0.85 JAK1 (0.40) TYK2JAK2JAK1JAK3KIT
SCHEMBL24615433 0.81 JAK2 (0.49) TYK2JAK2JAK1JAK3KIT

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-2022150446-A1 TYK2 INHIBITORS BIOGEN MA INC. (US) 2022-07-14 WO disclosed