SCHEMBL24327974

SCHEMBL24327974

C[C@H](Nc1nc2c(-c3cnn(C)c3)nc(-c3ccc(Cl)cc3)cn2n1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.41
JAK1 P23458 2/20 0.41
TYK2 P29597 2/20 0.41
JAK3 P52333 2/20 0.41
PIK3CG P48736 1/20 0.39
RET P07949 4/20 0.39
CHEK1 O14757 2/20 0.38
CLK1 P49759 3/20 0.37
EP300 Q09472 5/20 0.37
AHR P35869 1/20 0.37
SYK P43405 1/20 0.36
EIF2AK4 Q9P2K8 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL28724034 1.00 JAK2 (0.41) JAK2JAK1TYK2JAK3PIK3CG
SCHEMBL24327975 0.92 CHEK1 (0.39) JAK2JAK1TYK2JAK3PIK3CG
SCHEMBL29601134 0.91 PIK3CG (0.38) JAK2JAK1TYK2JAK3PIK3CG
SCHEMBL24327888 0.91 PIK3CG (0.38) JAK2JAK1TYK2JAK3PIK3CG
SCHEMBL29601470 0.88 JAK2 (0.40) JAK2JAK1TYK2JAK3PIK3CG
SCHEMBL24327357 0.88 JAK2 (0.39) JAK2JAK1TYK2JAK3PIK3CG
SCHEMBL24327333 0.86 JAK2 (0.44) JAK2JAK1TYK2JAK3PIK3CG
SCHEMBL24327772 0.86 JAK2 (0.38) JAK2JAK1TYK2JAK3PIK3CG
SCHEMBL24327328 0.86 JAK2 (0.44) JAK2JAK1TYK2JAK3PIK3CG
SCHEMBL29601453 0.86 JAK2 (0.44) JAK2JAK1TYK2JAK3PIK3CG

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 4 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
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