SCHEMBL24327786

SCHEMBL24327786

C[C@@H](CO)N(C)c1nc2c(-c3cnn(C4CC4)c3)nc(-c3ccc(C(F)F)cc3)cn2n1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 20/20 0.39
JAK3 P52333 20/20 0.39
TYK2 P29597 19/20 0.39
JAK2 O60674 18/20 0.39

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 0.82 JAK1 (0.40) JAK1JAK3TYK2JAK2
SCHEMBL24327326 0.78 JAK2 (0.43) JAK1JAK3TYK2JAK2
SCHEMBL24327405 0.78 JAK2 (0.42) JAK1JAK3TYK2JAK2
SCHEMBL24327882 0.74 JAK1 (0.36) JAK1JAK3TYK2JAK2
SCHEMBL24327409 0.72 JAK1 (0.41) JAK1JAK3TYK2JAK2
SCHEMBL24328717 0.71 JAK1 (0.37) JAK1JAK3TYK2JAK2
SCHEMBL29498931 0.70 JAK1 (0.34) JAK1JAK3TYK2JAK2
SCHEMBL24327390 0.70 JAK2 (0.43) JAK1JAK3TYK2JAK2
SCHEMBL24327989 0.68 FGFR1 (0.39) JAK1JAK3TYK2JAK2
SCHEMBL24327856 0.68 EGFR (0.46)

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-2022078356-A1 HETEROAROMATIC AHR INHIBITOR 山东轩竹医药科技有限公司 2022-04-21 WO disclosed