SCHEMBL29772793

SCHEMBL29772793

Cn1cc(-c2cc3c(N4CC5CCC(C4)N5C(=O)C4CC4)ccnc3[nH]2)cn1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 13/20 0.52
▸ JAK1 P23458 13/20 0.52
▸ TYK2 P29597 13/20 0.52
▸ JAK3 P52333 2/20 0.45
▸ AURKA O14965 2/20 0.43
▸ AURKB Q96GD4 2/20 0.43
▸ INCENP Q9NQS7 2/20 0.43
▸ TPX2 Q9ULW0 2/20 0.43
▸ KIT P10721 4/20 0.42
▸ BTK Q06187 1/20 0.41

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
SCHEMBL24615337 1.00 JAK2 (0.52) JAK2JAK1TYK2JAK3AURKA
SCHEMBL24615501 0.89 TYK2 (0.55) JAK2JAK1TYK2JAK3AURKA
SCHEMBL29772764 0.89 TYK2 (0.55) JAK2JAK1TYK2JAK3AURKA
SCHEMBL24615619 0.88 JAK1 (0.56) JAK2JAK1TYK2JAK3
SCHEMBL29772852 0.87 KIT (0.45) JAK2JAK1TYK2KIT
SCHEMBL24615537 0.87 KIT (0.45) JAK2JAK1TYK2KIT
SCHEMBL30669778 0.87 JAK1 (0.48) JAK2JAK1TYK2AURKAAURKB
SCHEMBL24615536 0.87 JAK1 (0.48) JAK2JAK1TYK2AURKAAURKB
SCHEMBL24615496 0.87 JAK2 (0.56) JAK2JAK1TYK2JAK3AURKA
SCHEMBL27280129 0.87 JAK1 (0.48) JAK2JAK1TYK2AURKAAURKB

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-117098763-A TYK2 inhibitors 渤健马萨诸塞州股份有限公司 2023-11-21 — — CN disclosed
EP-4274832-A1 TYK2 INHIBITORS Biogen MA Inc. (US) 2023-11-15 — — EP disclosed
WO-2022150446-A1 TYK2 INHIBITORS BIOGEN MA INC. (US) 2022-07-14 — — WO disclosed
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