SCHEMBL24328759

SCHEMBL24328759

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

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TEK Q02763 2/20 0.41
EPHB4 P54760 1/20 0.41
JAK2 O60674 4/20 0.38
JAK1 P23458 4/20 0.38
TYK2 P29597 4/20 0.38
JAK3 P52333 4/20 0.38
TRPV3 Q8NET8 7/20 0.35
NPBWR1 P48145 1/20 0.34
KDR P35968 2/20 0.33
CYP11B2 P19099 1/20 0.33
MET P08581 1/20 0.33
SCD O00767 1/20 0.33
TLR8 Q9NR97 1/20 0.32
MAPK1 P28482 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
SCHEMBL24328754 0.88 JAK2 (0.39) JAK2JAK1TYK2JAK3KDR
SCHEMBL24327878 0.81 EPHB4 (0.42) TEKEPHB4JAK2JAK1TYK2
SCHEMBL24327877 0.79 JAK2 (0.36) JAK2JAK1TYK2JAK3KDR
SCHEMBL24327327 0.79 TEK (0.47) TEKEPHB4JAK2JAK1TYK2
SCHEMBL24327881 0.77 JAK1 (0.37) JAK2JAK1TYK2JAK3
SCHEMBL24539587 0.76 JAK2 (0.43) TEKEPHB4JAK2JAK1TYK2
SCHEMBL24327879 0.76 TEK (0.45) TEKEPHB4JAK2JAK1TYK2
SCHEMBL24328756 0.75 CNR1 (0.39) JAK2JAK1TYK2JAK3KDR
SCHEMBL24327384 0.74 DPP4 (0.32) CYP11B2MAPK1
SCHEMBL24327848 0.73 JAK2 (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 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