SCHEMBL24515119

SCHEMBL24515119

CC[C@H]1CC1c1cc(-c2c[nH]c(=O)[nH]c2=O)nn2ccnc12

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 5/20 0.44
▸ ALDH1A1 P00352 1/20 0.30
▸ JAK2 O60674 1/20 0.30
▸ TYK2 P29597 1/20 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
SCHEMBL23994588 1.00 NT5E (0.44) NT5EALDH1A1JAK2TYK2
SCHEMBL24515135 0.90 NT5E (0.43) NT5EALDH1A1
SCHEMBL24514838 0.90 NT5E (0.43) NT5EALDH1A1
SCHEMBL29614259 0.89 NT5E (0.46) NT5E
SCHEMBL29614432 0.89 NT5E (0.46) NT5E
SCHEMBL29614445 0.89 NT5E (0.46) NT5E
SCHEMBL23993659 0.89 NT5E (0.42) NT5EALDH1A1
SCHEMBL23994245 0.89 NT5E (0.42) NT5EALDH1A1
SCHEMBL24514957 0.88 NT5E (0.40) NT5E
SCHEMBL29614335 0.88 NT5E (0.40) NT5E

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-2022121914-A1 OXO-NITROGEN RING DERIVATIVE REGULATOR, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 上海翰森生物医药科技有限公司 2022-06-16 — — WO disclosed
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