SCHEMBL24328753

SCHEMBL24328753

Cn1cc(-c2nc(-c3ccc(Cl)cc3)cn3c(NC[C@H](O)C(F)(F)F)nnc23)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK1 P51617 2/20 0.42
CHEK1 O14757 4/20 0.38
MAPKAPK2 P49137 1/20 0.35
CLK1 P49759 3/20 0.35
EPHB4 P54760 1/20 0.34
TEK Q02763 1/20 0.34
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 3/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33
KCNH2 Q12809 1/20 0.32

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
SCHEMBL24328751 0.92 IRAK1 (0.43) IRAK1CHEK1EPHB4TEKFGFR1
SCHEMBL24328734 0.92 IRAK1 (0.43) IRAK1CHEK1EPHB4TEKFGFR1
SCHEMBL24328760 0.92 IRAK1 (0.43) IRAK1CHEK1EPHB4TEKFGFR1
SCHEMBL24327407 0.82 IRAK1 (0.42) IRAK1CLK1GAAFGFR1FGFR2
SCHEMBL24327399 0.80 AHR (0.41) CHEK1MAPKAPK2CLK1FGFR3KDR
SCHEMBL24327363 0.79 TTK (0.39) IRAK1CHEK1MAPKAPK2CLK1EP300
SCHEMBL24327880 0.76 CNR1 (0.40) CHEK1MAPKAPK2CLK1FGFR3KDR
SCHEMBL24327876 0.76 CNR1 (0.38) CHEK1MAPKAPK2CLK1EP300CNR1
SCHEMBL24327879 0.74 TEK (0.45) CHEK1EPHB4TEKKDRJAK2
SCHEMBL24327322 0.74 IRAK1 (0.43) IRAK1EPHB4TEKFGFR1FGFR2

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