SCHEMBL24327337

SCHEMBL24327337

C[C@@H](CC#N)Nc1nc2c(-c3cnn(C)c3)nc(-c3ccc(Cl)cc3)cn2n1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 13/20 0.39
TYK2 P29597 13/20 0.39
JAK1 P23458 12/20 0.39
JAK3 P52333 5/20 0.39
CNR1 P21554 2/20 0.38
CNR2 P34972 1/20 0.38
IDH1 O75874 1/20 0.37
IDH2 P48735 1/20 0.37
RET P07949 4/20 0.37
CYP3A4 P08684 1/20 0.36

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
SCHEMBL24327333 0.88 JAK2 (0.44) JAK2TYK2JAK1JAK3CNR1
SCHEMBL29601453 0.88 JAK2 (0.44) JAK2TYK2JAK1JAK3CNR1
SCHEMBL24327328 0.88 JAK2 (0.44) JAK2TYK2JAK1JAK3CNR1
SCHEMBL24327357 0.86 JAK2 (0.39) JAK2TYK2JAK1JAK3CNR1
SCHEMBL29601470 0.85 JAK2 (0.40) JAK2TYK2JAK1JAK3CNR1
SCHEMBL24328761 0.83 JAK2 (0.38) JAK2TYK2JAK1JAK3CNR1
SCHEMBL24327836 0.83 CNR1 (0.39) JAK2TYK2JAK1JAK3CNR1
SCHEMBL24327772 0.82 JAK2 (0.38) JAK2TYK2JAK1JAK3CNR1
SCHEMBL24327876 0.82 CNR1 (0.38) JAK2TYK2JAK1JAK3CNR1
SCHEMBL24327974 0.81 JAK2 (0.41) JAK2TYK2JAK1JAK3RET

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