SCHEMBL21078404

SCHEMBL21078404

[O-][S+]1CCN(Cc2ccc(-c3ncnc4[nH]ccc34)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 1/20 0.49
▸ CHUK O15111 1/20 0.49
▸ JAK2 O60674 12/20 0.49
▸ BTK Q06187 3/20 0.46
▸ TYRO3 Q06418 4/20 0.44
▸ JAK3 P52333 4/20 0.44
▸ FLT3 P36888 3/20 0.44
▸ AURKA O14965 2/20 0.44
▸ DAPK3 O43293 2/20 0.44
▸ PRKD3 O94806 2/20 0.44
▸ MAP4K4 O95819 2/20 0.44
▸ PAK4 O96013 2/20 0.44
▸ NTRK1 P04629 2/20 0.44
▸ CSF1R P07333 2/20 0.44
▸ RET P07949 2/20 0.44
▸ IGF1R P08069 2/20 0.44
▸ MET P08581 2/20 0.44
▸ PIM1 P11309 2/20 0.44
▸ FGFR1 P11362 2/20 0.44
▸ PRKACA P17612 2/20 0.44

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
SCHEMBL19823106 0.87 JAK2 (0.55) IKBKBCHUKJAK2BTKTYRO3
SCHEMBL19823105 0.83 MAP3K11 (0.53) IKBKBCHUKJAK2BTKFLT3
SCHEMBL19823110 0.83 CSF1R (0.55) IKBKBCHUKJAK2BTKTYRO3
SCHEMBL19823104 0.82 JAK2 (0.50) IKBKBCHUKJAK2BTKTYRO3
SCHEMBL19823108 0.81 IKBKB (0.51) IKBKBCHUKJAK2TYRO3JAK3
SCHEMBL19823052 0.81 JAK1 (0.49) IKBKBCHUKJAK2BTKTYRO3
SCHEMBL21044826 0.75 JAK2 (0.60) IKBKBCHUKJAK2BTKTYRO3
SCHEMBL16793627 0.74 JAK2 (0.66) IKBKBCHUKJAK2BTKTYRO3
SCHEMBL19823047 0.71 TNIK (0.49) JAK2JAK3FLT3DAPK3PRKD3
SCHEMBL15661177 0.71 JAK2 (0.70) IKBKBCHUKJAK2BTKTYRO3

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-3492469-B1 COMPOUND AS SELECTIVE JAK INHIBITOR, AND SALT AND THERAPEUTIC USE THEREOF SUZHOU LONGBIOTECH PHARMACEUTICALS CO LTD (CN) 2021-12-01 — — EP disclosed
EP-3492469-A1 COMPOUND AS SELECTIVE JAK INHIBITOR, AND SALT AND THERAPEUTIC USE THEREOF Tianjin Longbogene Pharmaceutical Co., Ltd. (CN) 2019-06-05 — — EP disclosed
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