SCHEMBL24328702

SCHEMBL24328702

Cn1cc(-c2nc(-c3ccc(Cl)cc3)cn3nc(N[C@H]4CCC[C@H]4O[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)nc23)cn1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 7/20 0.35
JAK1 P23458 7/20 0.35
TYK2 P29597 7/20 0.35
JAK3 P52333 7/20 0.35
AXL P30530 2/20 0.32
MERTK Q12866 2/20 0.32
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 1/20 0.30
NCSTN Q92542 1/20 0.30
APH1A Q96BI3 1/20 0.30
PSENEN Q9NZ42 1/20 0.30
RET P07949 1/20 0.30
CHEK1 O14757 1/20 0.30

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
SCHEMBL24327939 1.00 JAK2 (0.35) JAK2JAK1TYK2JAK3AXL
SCHEMBL29498925 0.91 MERTK (0.34) JAK2JAK1TYK2JAK3AXL
SCHEMBL29498918 0.79 JAK2 (0.37) JAK2JAK1TYK2JAK3CNR1
SCHEMBL29498923 0.79 JAK2 (0.36) JAK2JAK1TYK2JAK3CNR1
SCHEMBL29498964 0.79 JAK2 (0.35) JAK2JAK1TYK2JAK3AXL
SCHEMBL29601626 0.77 JAK2 (0.34) JAK2JAK1TYK2JAK3CNR1
SCHEMBL29498928 0.73 JAK1 (0.35) JAK2JAK1TYK2JAK3AXL
SCHEMBL24539404 0.73 JAK2 (0.35) JAK2JAK1TYK2JAK3CNR1
SCHEMBL24327357 0.72 JAK2 (0.39) JAK2JAK1TYK2JAK3AXL
SCHEMBL29600985 0.72 JAK2 (0.34) JAK2JAK1TYK2JAK3CNR1

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