SCHEMBL24327329

SCHEMBL24327329

Cn1cc(-c2nc(-c3ccc(C(F)(F)F)cc3)cn3c(NC4CCCC4)nnc23)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHB4 P54760 1/20 0.42
TEK Q02763 1/20 0.42
GABBR2 O75899 3/20 0.41
GABBR1 Q9UBS5 3/20 0.41
AXL P30530 4/20 0.41
TYRO3 Q06418 3/20 0.41
MERTK Q12866 3/20 0.41
CCNK O75909 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CDK12 Q9NYV4 1/20 0.40
LRRK2 Q5S007 1/20 0.40
SCD O00767 2/20 0.40
CHEK1 O14757 2/20 0.38
PIM1 P11309 1/20 0.38
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
JAK3 P52333 1/20 0.37
NPBWR1 P48145 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
SCHEMBL24328762 0.87 TRPV3 (0.40) EPHB4TEKAXLMERTKSCD
SCHEMBL24327879 0.87 TEK (0.45) EPHB4TEKCCNKCCNA2CDK2
SCHEMBL24327327 0.81 TEK (0.47) EPHB4TEKSCDCHEK1JAK2
SCHEMBL24327878 0.80 EPHB4 (0.42) EPHB4TEKSCDJAK2JAK1
SCHEMBL24328759 0.72 TEK (0.41) EPHB4TEKSCDJAK2JAK1
SCHEMBL24328760 0.71 IRAK1 (0.43) EPHB4TEKCHEK1JAK2JAK1
SCHEMBL24328734 0.71 IRAK1 (0.43) EPHB4TEKCHEK1JAK2JAK1
SCHEMBL24328751 0.71 IRAK1 (0.43) EPHB4TEKCHEK1JAK2JAK1
SCHEMBL24327773 0.68 KCNH2 (0.55) EPHB4TEKNPBWR1
SCHEMBL24328691 0.68 EPHB4 (0.46) EPHB4TEKCCNKCCNA2CDK2

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