SCHEMBL25364124

SCHEMBL25364124

CCOC(=O)c1cnc2c(N(C)Cc3ccc(OC)cc3)cc(Nc3cccn(C4CCC(OC)CC4)c3=O)nn12

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 19/20 0.48
▸ PIK3CA P42336 1/20 0.37
▸ MTOR P42345 1/20 0.37
▸ PRKDC P78527 1/20 0.37

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
SCHEMBL31245734 0.88 TYK2 (0.52) TYK2
SCHEMBL30529610 0.87 TYK2 (0.51) TYK2
SCHEMBL16794637 0.86 TYK2 (0.45) TYK2
SCHEMBL31245704 0.84 TYK2 (0.49) TYK2
SCHEMBL24263379 0.83 TYK2 (0.46) TYK2
SCHEMBL31245746 0.82 TYK2 (0.41) TYK2
SCHEMBL24263282 0.82 TYK2 (0.52) TYK2
SCHEMBL31245741 0.82 TYK2 (0.52) TYK2
SCHEMBL16794722 0.82 TYK2 (0.60) TYK2
SCHEMBL20504574 0.81 IDO1 (0.37) TYK2

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-2023155900-A1 FIVE-MEMBERED AND SIX-MEMBERED HETEROCYCLIC COMPOUND, AND USE THEREOF AS PROTEIN KINASE INHIBITOR 上海轶诺药业有限公司 2023-08-24 — — WO disclosed
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