SCHEMBL29772764

SCHEMBL29772764

Cn1cc(-c2cc3c(N4CC5CCC(C4)N5C(=O)[C@@H]4C[C@H]4F)ccnc3[nH]2)cn1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 16/20 0.55
▸ JAK2 O60674 14/20 0.55
▸ JAK1 P23458 14/20 0.55
▸ JAK3 P52333 5/20 0.43
▸ KIT P10721 3/20 0.41
▸ AURKA O14965 1/20 0.41
▸ AURKB Q96GD4 1/20 0.41
▸ INCENP Q9NQS7 1/20 0.41
▸ TPX2 Q9ULW0 1/20 0.41
▸ KDR P35968 1/20 0.41
▸ STAT1 P42224 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
SCHEMBL24615501 1.00 TYK2 (0.55) TYK2JAK2JAK1JAK3KIT
SCHEMBL29772793 0.89 JAK2 (0.52) TYK2JAK2JAK1JAK3KIT
SCHEMBL24615337 0.89 JAK2 (0.52) TYK2JAK2JAK1JAK3KIT
SCHEMBL24615619 0.87 JAK1 (0.56) TYK2JAK2JAK1JAK3KDR
SCHEMBL24615480 0.86 KIT (0.52) TYK2JAK2JAK1KIT
SCHEMBL24615509 0.85 TYK2 (0.51) TYK2JAK2JAK1JAK3KIT
SCHEMBL24615496 0.85 JAK2 (0.56) TYK2JAK2JAK1JAK3KIT
SCHEMBL22568679 0.85 KIT (0.51) KITAURKAAURKBINCENPTPX2
SCHEMBL24615508 0.84 KIT (0.44) TYK2JAK2JAK1JAK3KIT
SCHEMBL24615536 0.83 JAK1 (0.48) TYK2JAK2JAK1KITAURKA

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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