SCHEMBL22930855

SCHEMBL22930855

Cn1ccc(-c2ncnc3[nH]ccc23)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 16/20 0.58
▸ JAK3 P52333 6/20 0.51
▸ AURKA O14965 2/20 0.51
▸ DAPK3 O43293 2/20 0.51
▸ PRKD3 O94806 2/20 0.51
▸ MAP4K4 O95819 2/20 0.51
▸ PAK4 O96013 2/20 0.51
▸ NTRK1 P04629 2/20 0.51
▸ CSF1R P07333 2/20 0.51
▸ RET P07949 2/20 0.51
▸ IGF1R P08069 2/20 0.51
▸ MET P08581 2/20 0.51
▸ PIM1 P11309 2/20 0.51
▸ FGFR1 P11362 2/20 0.51
▸ PRKACA P17612 2/20 0.51
▸ FLT1 P17948 2/20 0.51
▸ LTK P29376 2/20 0.51
▸ GRK5 P34947 2/20 0.51
▸ KDR P35968 2/20 0.51
▸ MAP2K2 P36507 2/20 0.51

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
SCHEMBL13286408 0.78 AURKA (0.62) JAK2JAK3AURKADAPK3PRKD3
SCHEMBL30589328 0.78 AURKA (0.62) JAK2JAK3AURKADAPK3PRKD3
SCHEMBL27868341 0.76 JAK2 (0.55) JAK2JAK3AURKADAPK3PRKD3
SCHEMBL27868344 0.76 JAK2 (0.48) JAK2JAK3AURKADAPK3PRKD3
SCHEMBL13878218 0.76 JAK2 (0.67) JAK2JAK3AURKADAPK3PRKD3
SCHEMBL4582353 0.74 JAK2 (0.70) JAK2JAK3AURKADAPK3PRKD3
SCHEMBL4006751 0.74 JAK2 (1.00) JAK2JAK3AURKADAPK3PRKD3
SCHEMBL101810 0.73 JAK2 (0.53) JAK2JAK3AURKADAPK3PRKD3
SCHEMBL27762575 0.73 JAK2 (0.44) JAK2JAK3AURKADAPK3PRKD3
SCHEMBL13695723 0.72 JAK2 (0.65) JAK2JAK3RETPRKACAROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3466953-B1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE AS JANUS KINASE INHIBITOR INCYTE HOLDINGS CORP (US) 2021-02-03 — — EP disclosed
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