SCHEMBL24328762

SCHEMBL24328762

Cn1cc(-c2nc(-c3ccc(C(F)(F)F)cc3)cn3c(N[C@H]4CCC[C@H]4O)nnc23)cn1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 7/20 0.40
IRAK1 P51617 5/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
JAK3 P52333 1/20 0.40
EPHB4 P54760 1/20 0.38
TEK Q02763 1/20 0.38
KCNH2 Q12809 1/20 0.37
NLRP3 Q96P20 1/20 0.37
SCD O00767 1/20 0.37
TNF P01375 1/20 0.36
IL1B P01584 1/20 0.36
AXL P30530 1/20 0.36
MERTK Q12866 1/20 0.36
IRAK4 Q9NWZ3 2/20 0.35

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
SCHEMBL24327329 0.87 EPHB4 (0.42) IRAK1JAK2JAK1TYK2JAK3
SCHEMBL24327879 0.82 TEK (0.45) JAK2JAK1TYK2JAK3EPHB4
SCHEMBL24327878 0.78 EPHB4 (0.42) TRPV3JAK2JAK1TYK2JAK3
SCHEMBL24327327 0.77 TEK (0.47) JAK2JAK1TYK2JAK3EPHB4
SCHEMBL24328759 0.70 TEK (0.41) TRPV3JAK2JAK1TYK2JAK3
SCHEMBL24328751 0.69 IRAK1 (0.43) IRAK1JAK2JAK1TYK2JAK3
SCHEMBL24328734 0.69 IRAK1 (0.43) IRAK1JAK2JAK1TYK2JAK3
SCHEMBL24328760 0.69 IRAK1 (0.43) IRAK1JAK2JAK1TYK2JAK3
SCHEMBL24328753 0.68 IRAK1 (0.42) IRAK1JAK2JAK1TYK2JAK3
SCHEMBL29498925 0.68 MERTK (0.34) JAK2JAK1TYK2JAK3EPHB4

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