SCHEMBL24327407

SCHEMBL24327407

Cn1cc(-c2nc(-c3ccc(Cl)cc3)cn3nc(NCC(O)C(F)(F)F)nc23)cn1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IRAK1 P51617 2/20 0.42
JAK2 O60674 8/20 0.36
JAK1 P23458 8/20 0.36
TYK2 P29597 8/20 0.36
JAK3 P52333 7/20 0.36
PIK3CG P48736 1/20 0.33
RET P07949 1/20 0.33
CLK1 P49759 1/20 0.33
GAA P10253 1/20 0.33
FGFR1 P11362 3/20 0.33
FGFR2 P21802 3/20 0.33
FGFR4 P22455 3/20 0.33
FGFR3 P22607 3/20 0.33
KDR P35968 3/20 0.33
EP300 Q09472 2/20 0.33
AHR P35869 1/20 0.33

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
SCHEMBL24327322 0.92 IRAK1 (0.43) IRAK1JAK2JAK1TYK2JAK3
SCHEMBL24327398 0.83 JAK2 (0.39) IRAK1JAK2JAK1TYK2JAK3
SCHEMBL24328753 0.82 IRAK1 (0.42) IRAK1JAK2JAK1TYK2JAK3
SCHEMBL29601470 0.82 JAK2 (0.40) JAK2JAK1TYK2JAK3PIK3CG
SCHEMBL29601453 0.81 JAK2 (0.44) JAK2JAK1TYK2JAK3PIK3CG
SCHEMBL24327333 0.81 JAK2 (0.44) JAK2JAK1TYK2JAK3PIK3CG
SCHEMBL24327328 0.81 JAK2 (0.44) JAK2JAK1TYK2JAK3PIK3CG
SCHEMBL29601626 0.81 JAK2 (0.34) JAK2JAK1TYK2JAK3RET
SCHEMBL24327357 0.80 JAK2 (0.39) JAK2JAK1TYK2JAK3PIK3CG
SCHEMBL24327769 0.80 JAK2 (0.41) 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 3 patents. 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
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