SCHEMBL30669778

SCHEMBL30669778

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

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 5/20 0.48
▸ RET P07949 3/20 0.48
▸ KIT P10721 6/20 0.44
▸ GPR119 Q8TDV5 1/20 0.42
▸ TBK1 Q9UHD2 1/20 0.40
▸ AURKA O14965 1/20 0.40
▸ AURKB Q96GD4 1/20 0.40
▸ INCENP Q9NQS7 1/20 0.40
▸ TPX2 Q9ULW0 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ BTK Q06187 2/20 0.39
▸ JAK2 O60674 3/20 0.39
▸ TYK2 P29597 3/20 0.39

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
SCHEMBL24615536 1.00 JAK1 (0.48) JAK1RETKITGPR119TBK1
SCHEMBL27280129 1.00 JAK1 (0.48) JAK1RETKITGPR119TBK1
SCHEMBL29772793 0.87 JAK2 (0.52) JAK1KITAURKAAURKBINCENP
SCHEMBL24615337 0.87 JAK2 (0.52) JAK1KITAURKAAURKBINCENP
SCHEMBL30669825 0.86 KIT (0.52) RETKIT
SCHEMBL27280461 0.86 KIT (0.52) RETKIT
SCHEMBL24615535 0.86 AURKA (0.40) JAK1KITTBK1AURKAAURKB
SCHEMBL20920004 0.85 KIT (0.60) RETKITGPR119
SCHEMBL24615619 0.84 JAK1 (0.56) JAK1JAK2TYK2
SCHEMBL30669813 0.84 JAK1 (0.46) JAK1RETKITGPR119HDAC1

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-119731186-A TYK2 inhibitors 渤健马萨诸塞州股份有限公司 2025-03-28 — — CN disclosed
CN-117098763-A TYK2 inhibitors 渤健马萨诸塞州股份有限公司 2023-11-21 — — CN disclosed
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