SCHEMBL29772852

SCHEMBL29772852

O=C(C1CC1)N1C2CCC1CN(c1ccnc3[nH]c(-c4cnn(C(F)F)c4)cc13)C2

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 16/20 0.45
▸ JAK2 O60674 4/20 0.41
▸ JAK1 P23458 4/20 0.41
▸ TYK2 P29597 4/20 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
SCHEMBL24615537 1.00 KIT (0.45) KITJAK2JAK1TYK2
SCHEMBL24615337 0.87 JAK2 (0.52) KITJAK2JAK1TYK2
SCHEMBL29772793 0.87 JAK2 (0.52) KITJAK2JAK1TYK2
SCHEMBL29772803 0.86 KIT (0.55) KIT
SCHEMBL24615216 0.86 KIT (0.55) KIT
SCHEMBL24615256 0.85 KIT (0.41) KIT
SCHEMBL29772748 0.82 JAK1 (0.45) JAK2JAK1TYK2
SCHEMBL24615441 0.82 JAK1 (0.45) JAK2JAK1TYK2
SCHEMBL24615321 0.82 KIT (0.47) KIT
SCHEMBL24615501 0.79 TYK2 (0.55) KITJAK2JAK1TYK2

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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