SCHEMBL24328754

SCHEMBL24328754

C[C@@H](CO)CCc1nnc2c(-c3cnn(C)c3)nc(-c3ccc(Cl)cc3)cn12

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 6/20 0.39
JAK1 P23458 6/20 0.39
TYK2 P29597 6/20 0.39
JAK3 P52333 6/20 0.39
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
AHR P35869 1/20 0.35
CLK1 P49759 3/20 0.34
CHEK1 O14757 1/20 0.34
KCNH2 Q12809 1/20 0.34
FGFR3 P22607 1/20 0.33
KDR P35968 1/20 0.33
EP300 Q09472 5/20 0.32
MET P08581 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
SCHEMBL24327881 0.88 JAK1 (0.37) JAK2JAK1TYK2JAK3CHEK1
SCHEMBL24328759 0.88 TEK (0.41) JAK2JAK1TYK2JAK3KDR
SCHEMBL24327877 0.88 JAK2 (0.36) JAK2JAK1TYK2JAK3CNR1
SCHEMBL24328756 0.86 CNR1 (0.39) JAK2JAK1TYK2JAK3CNR1
SCHEMBL24327384 0.85 DPP4 (0.32) AHR
SCHEMBL24327848 0.85 JAK2 (0.43) JAK2JAK1TYK2JAK3CNR1
SCHEMBL24327399 0.80 AHR (0.41) JAK2JAK1TYK2JAK3CNR1
SCHEMBL24327391 0.79 JAK2 (0.39) JAK2JAK1TYK2JAK3CNR1
SCHEMBL24327400 0.76 AHR (0.41) JAK2JAK1TYK2JAK3CNR1
SCHEMBL24539407 0.75 JAK2 (0.45) JAK2JAK1TYK2JAK3CNR1

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