SCHEMBL24327322

SCHEMBL24327322

Cc1ccc(-c2cn3nc(NCC(O)C(F)(F)F)nc3c(-c3cnn(C)c3)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IRAK1 P51617 2/20 0.43
JAK2 O60674 10/20 0.37
JAK1 P23458 10/20 0.37
TYK2 P29597 10/20 0.37
JAK3 P52333 9/20 0.37
KDR P35968 4/20 0.34
EPHB4 P54760 1/20 0.34
TEK Q02763 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
PIK3CG P48736 1/20 0.34
FGFR1 P11362 3/20 0.33
FGFR2 P21802 3/20 0.33
FGFR4 P22455 3/20 0.33
FGFR3 P22607 3/20 0.33
SYK P43405 1/20 0.33
EIF2AK4 Q9P2K8 1/20 0.33
NTRK1 P04629 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
SCHEMBL24327407 0.92 IRAK1 (0.42) IRAK1JAK2JAK1TYK2JAK3
SCHEMBL24328760 0.82 IRAK1 (0.43) IRAK1JAK2JAK1TYK2JAK3
SCHEMBL24328751 0.82 IRAK1 (0.43) IRAK1JAK2JAK1TYK2JAK3
SCHEMBL24328734 0.82 IRAK1 (0.43) IRAK1JAK2JAK1TYK2JAK3
SCHEMBL29498913 0.81 JAK2 (0.35) JAK2JAK1TYK2JAK3HCRTR1
SCHEMBL24328770 0.78 EPHB4 (0.41) IRAK1JAK2JAK1TYK2JAK3
SCHEMBL24328767 0.75 JAK2 (0.43) JAK2JAK1TYK2JAK3EPHB4
SCHEMBL24327398 0.74 JAK2 (0.39) IRAK1JAK2JAK1TYK2JAK3
SCHEMBL24328753 0.74 IRAK1 (0.42) IRAK1JAK2JAK1TYK2JAK3
SCHEMBL24539403 0.74 LRRK2 (0.43) JAK2JAK1TYK2JAK3KDR

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 2 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
CN-114369097-A Heteroaromatic AhR inhibitors 山东轩竹医药科技有限公司 2022-04-19 CN disclosed