SCHEMBL28416778

SCHEMBL28416778

Cc1ccc(S(=O)(=O)n2ccc3c(N4CC[C@@H](C)[C@@H](N(C)c5ncnc6c5ccn6S(=O)(=O)c5ccc(C)cc5)C4)ncnc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 8/20 0.42
▸ JAK2 O60674 8/20 0.42
▸ JAK3 P52333 10/20 0.38
▸ GBA1 P04062 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ TYK2 P29597 2/20 0.37
▸ KIT P10721 2/20 0.37
▸ PKN2 Q16513 1/20 0.37
▸ AURKB Q96GD4 1/20 0.37
▸ ATR Q13535 1/20 0.36
▸ ATRIP Q8WXE1 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL12148936 0.86 JAK3 (0.42) JAK1JAK2JAK3TYK2PKN2
SCHEMBL1376989 0.82 JAK3 (0.57) JAK1JAK2JAK3TSHRTYK2
SCHEMBL28407748 0.82 JAK3 (0.57) JAK1JAK2JAK3TSHRTYK2
SCHEMBL22428979 0.82 JAK3 (0.57) JAK1JAK2JAK3TSHRTYK2
SCHEMBL1374052 0.82 JAK3 (0.57) JAK1JAK2JAK3TSHRTYK2
SCHEMBL19757372 0.82 GPR119 (0.47) JAK1JAK2JAK3TYK2PKN2
SCHEMBL2320091 0.81 JAK2 (0.42) JAK1JAK2JAK3TYK2PKN2
SCHEMBL17285450 0.81 JAK3 (0.60) JAK1JAK2JAK3TYK2PKN2
SCHEMBL12546233 0.79 JAK3 (0.51) JAK1JAK2JAK3TYK2PKN2
SCHEMBL12566651 0.79 JAK3 (0.51) JAK1JAK2JAK3TYK2PKN2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112641773-A Composition containing heterocyclic compound and use thereof 黄泳华 2021-04-13 — — CN claimed
CN-111588724-A Use of pyrrolopyrimidine derivatives in the treatment of Janus kinase mediated diseases 黄泳华 2020-08-28 — — CN claimed
CN-111202736-A Compositions containing a mixture of pyrrolopyrimidine derivatives and uses thereof 黄泳华 2020-05-29 — — CN claimed
CN-112641773-A Composition containing heterocyclic compound and use thereof 黄泳华 2021-04-13 — — CN disclosed
CN-111588724-A Use of pyrrolopyrimidine derivatives in the treatment of Janus kinase mediated diseases 黄泳华 2020-08-28 — — CN disclosed
CN-111202736-A Compositions containing a mixture of pyrrolopyrimidine derivatives and uses thereof 黄泳华 2020-05-29 — — CN disclosed
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