SCHEMBL24327882

SCHEMBL24327882

C[C@@H](CO)Nc1nnc2c(-c3cnn(C4CC4)c3)nc(-c3ccc(C(F)F)cc3)cn12

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 16/20 0.36
JAK3 P52333 16/20 0.36
TYK2 P29597 15/20 0.36
JAK2 O60674 13/20 0.36
MAP3K5 Q99683 3/20 0.35
NTRK1 P04629 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
SCHEMBL24327345 0.83 JAK1 (0.40) JAK1JAK3TYK2JAK2
SCHEMBL29498911 0.83 JAK2 (0.32) JAK1JAK3TYK2JAK2
SCHEMBL24327399 0.78 AHR (0.41) JAK1JAK3TYK2JAK2
SCHEMBL24327878 0.77 EPHB4 (0.42) JAK1JAK3TYK2JAK2
SCHEMBL24328717 0.77 JAK1 (0.37) JAK1JAK3TYK2JAK2MAP3K5
SCHEMBL24327786 0.74 JAK1 (0.39) JAK1JAK3TYK2JAK2
SCHEMBL24327409 0.72 JAK1 (0.41) JAK1JAK3TYK2JAK2
SCHEMBL24327881 0.72 JAK1 (0.37) JAK1JAK3TYK2JAK2MAP3K5
SCHEMBL24327390 0.71 JAK2 (0.43) JAK1JAK3TYK2JAK2
SCHEMBL24327989 0.69 FGFR1 (0.39) JAK1JAK3TYK2JAK2MAP3K5

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114369097-B Heteroaromatic AhR inhibitors 山东轩竹医药科技有限公司 2023-07-14 CN disclosed
WO-2022078356-A1 HETEROAROMATIC AHR INHIBITOR 山东轩竹医药科技有限公司 2022-04-21 WO disclosed
CN-114369097-A Heteroaromatic AhR inhibitors 山东轩竹医药科技有限公司 2022-04-19 CN disclosed