SCHEMBL24327326

SCHEMBL24327326

C[C@@H](CO)N(C)c1nc2c(-c3cnn(C)c3)nc(-c3ccc(Cl)cc3)cn2n1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 12/20 0.43
JAK1 P23458 12/20 0.43
TYK2 P29597 12/20 0.43
JAK3 P52333 12/20 0.43
AHR P35869 1/20 0.37
RET P07949 3/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
MAPT P10636 2/20 0.34
TP53 P04637 1/20 0.34
KCNH2 Q12809 1/20 0.34
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL24327405 0.88 JAK2 (0.42) JAK2JAK1TYK2JAK3KCNH2
SCHEMBL29601621 0.87 JAK2 (0.41) JAK2JAK1TYK2JAK3AHR
SCHEMBL24328733 0.86 JAK2 (0.37) JAK2JAK1TYK2JAK3AHR
SCHEMBL24327971 0.85 JAK2 (0.39) JAK2JAK1TYK2JAK3RET
SCHEMBL24539477 0.82 JAK2 (0.46) JAK2JAK1TYK2JAK3AHR
SCHEMBL29600985 0.81 JAK2 (0.34) JAK2JAK1TYK2JAK3RET
SCHEMBL24327391 0.81 JAK2 (0.39) JAK2JAK1TYK2JAK3AHR
SCHEMBL24539406 0.81 JAK2 (0.45) JAK2JAK1TYK2JAK3AHR
SCHEMBL24539407 0.81 JAK2 (0.45) JAK2JAK1TYK2JAK3AHR
SCHEMBL24327333 0.80 JAK2 (0.44) JAK2JAK1TYK2JAK3AHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114369097-B Heteroaromatic AhR inhibitors 山东轩竹医药科技有限公司 2023-07-14 CN disclosed
WO-2022078356-A1 HETEROAROMATIC AHR INHIBITOR 山东轩竹医药科技有限公司 2022-04-21 WO disclosed
CN-114369097-A Heteroaromatic AhR inhibitors 山东轩竹医药科技有限公司 2022-04-19 CN disclosed