SCHEMBL24328755

SCHEMBL24328755

C[C@@H](CO)CCc1n[nH]c2c(-c3cnn(C)c3)nc(-c3ccc(Cl)cc3)cc12

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.39
PIM1 P11309 5/20 0.37
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
JAK3 P52333 1/20 0.36
AHR P35869 1/20 0.36
AXL P30530 8/20 0.36
FGFR3 P22607 1/20 0.34
KDR P35968 1/20 0.34
PRMT5 O14744 2/20 0.34
WDR77 Q9BQA1 2/20 0.34

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
SCHEMBL24327387 0.82 AHR (0.42) MAPK1PIM1CNR1CNR2JAK2
SCHEMBL24327848 0.74 JAK2 (0.43) CNR1CNR2JAK2JAK1TYK2
SCHEMBL24328754 0.74 JAK2 (0.39) CNR1CNR2JAK2JAK1TYK2
SCHEMBL29738280 0.71 AHR (0.41) MAPK1CNR1CNR2JAK2JAK1
SCHEMBL24539605 0.71 JAK2 (0.48) MAPK1CNR1CNR2JAK2JAK1
SCHEMBL24539496 0.71 JAK2 (0.48) MAPK1CNR1CNR2JAK2JAK1
SCHEMBL24539411 0.69 JAK2 (0.48) MAPK1CNR1CNR2JAK2JAK1
SCHEMBL28951079 0.69 JAK2 (0.48) MAPK1CNR1CNR2JAK2JAK1
SCHEMBL23390448 0.69 AHR (0.42) MAPK1CNR1CNR2JAK2JAK1
SCHEMBL23390451 0.69 AHR (0.42) MAPK1CNR1CNR2JAK2JAK1

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