SCHEMBL29772810

SCHEMBL29772810

CC(C)(C)OC(=O)N1C2CCC1CN(c1ccnc3[nH]c(-c4ccnc(Cl)c4)nc13)C2

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 4/20 0.46
▸ KCNK3 O14649 6/20 0.39
▸ KCNK9 Q9NPC2 6/20 0.39
▸ GPR119 Q8TDV5 3/20 0.39
▸ JAK2 O60674 2/20 0.38
▸ TYK2 P29597 2/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ JAK3 P52333 1/20 0.38
▸ HSD11B1 P28845 1/20 0.38
▸ RET P07949 2/20 0.36
▸ CCNK O75909 1/20 0.34
▸ CDK12 Q9NYV4 1/20 0.34
▸ CCNT1 O60563 1/20 0.34
▸ CDK9 P50750 1/20 0.34
▸ EIF2AK4 Q9P2K8 1/20 0.33

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
SCHEMBL30669815 0.87 JAK1 (0.44) JAK1KCNK3KCNK9GPR119JAK2
SCHEMBL24615517 0.87 JAK1 (0.44) JAK1KCNK3KCNK9GPR119JAK2
SCHEMBL29772743 0.87 JAK1 (0.44) JAK1KCNK3KCNK9GPR119JAK2
SCHEMBL30669773 0.84 RET (0.46) JAK1GPR119JAK2TYK2JAK3
SCHEMBL24615246 0.84 RET (0.46) JAK1GPR119JAK2TYK2JAK3
SCHEMBL24615482 0.78 JAK1 (0.46) JAK1KCNK3KCNK9GPR119JAK2
SCHEMBL30669838 0.78 JAK1 (0.46) JAK1KCNK3KCNK9GPR119JAK2
SCHEMBL29772843 0.76 TYK2 (0.40) JAK1JAK2TYK2JAK3
SCHEMBL29772806 0.76 JAK1 (0.44) JAK1KCNK3KCNK9GPR119JAK2
SCHEMBL30726637 0.75 RET (0.42) JAK1GPR119JAK2TYK2RET

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
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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