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SCHEMBL29600985

SCHEMBL29600985

C[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N(C)c1nc2c(-c3cnn(C)c3)nc(-c3ccc(Cl)cc3)cn2n1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 7/20 0.34
▸ JAK1 P23458 7/20 0.34
▸ TYK2 P29597 7/20 0.34
▸ JAK3 P52333 7/20 0.34
▸ RET P07949 2/20 0.32
▸ CNR2 P34972 2/20 0.32
▸ CNR1 P21554 1/20 0.32
▸ EP300 Q09472 4/20 0.30

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
SCHEMBL29498923 0.85 JAK2 (0.36) JAK2JAK1TYK2JAK3RET
SCHEMBL24539404 0.85 JAK2 (0.35) JAK2JAK1TYK2JAK3RET
SCHEMBL24327326 0.81 JAK2 (0.43) JAK2JAK1TYK2JAK3RET
SCHEMBL29498918 0.79 JAK2 (0.37) JAK2JAK1TYK2JAK3RET
SCHEMBL24328733 0.79 JAK2 (0.37) JAK2JAK1TYK2JAK3RET
SCHEMBL29732988 0.79 EP300 (0.33) JAK2JAK1TYK2JAK3CNR2
SCHEMBL29601621 0.78 JAK2 (0.41) JAK2JAK1TYK2JAK3RET
SCHEMBL29498944 0.76 JAK2 (0.35) JAK2JAK1TYK2JAK3RET
SCHEMBL29498939 0.76 JAK2 (0.35) JAK2JAK1TYK2JAK3RET
SCHEMBL29498928 0.76 JAK1 (0.35) JAK2JAK1TYK2JAK3

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 2 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
CN-114369097-A Heteroaromatic AhR inhibitors 山东轩竹医药科技有限公司 2022-04-19 — — CN disclosed