SCHEMBL7261096

SCHEMBL7261096

Nc1n[nH]c2nc(-c3ccccc3)c(I)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 2/20 0.44
▸ KDM4E B2RXH2 4/20 0.44
▸ ALDH1A1 P00352 4/20 0.44
▸ HPGD P15428 3/20 0.44
▸ GAA P10253 3/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ GSK3A P49840 4/20 0.41
▸ GSK3B P49841 4/20 0.41
▸ AURKB Q96GD4 3/20 0.41
▸ CSNK1A1 P48729 2/20 0.41
▸ CLK4 Q9HAZ1 2/20 0.41
▸ MAP4K4 O95819 1/20 0.41
▸ CSF1R P07333 1/20 0.41
▸ FGFR1 P11362 1/20 0.41
▸ PDGFRA P16234 1/20 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
SCHEMBL7261268 0.83 GSK3A (0.54) JAK2KDM4EALDH1A1HPGDGAA
SCHEMBL26675449 0.81 JAK2 (0.44) JAK2KDM4EALDH1A1HPGDGAA
SCHEMBL7257406 0.81 GSK3A (0.55) JAK2KDM4EALDH1A1HPGDGAA
SCHEMBL12467662 0.76 PDPK1 (0.36) JAK2KDM4EGAAAURKBAURKA
SCHEMBL14813996 0.71 JAK2 (0.36) JAK2KDM4EGAARAB9AAURKB
SCHEMBL13329926 0.70 AURKB (0.51) JAK2KDM4EALDH1A1RAB9AMAPK1
SCHEMBL30675639 0.70 AURKB (0.51) JAK2KDM4EALDH1A1RAB9AMAPK1
SCHEMBL1460319 0.69 GSK3A (0.59) JAK2RAB9AMAPK1NPSR1GSK3A
SCHEMBL5387619 0.69 GSK3B (0.59) JAK2GSK3AGSK3BAURKBCSNK1A1
SCHEMBL16475309 0.69 ALDH1A1 (0.56) JAK2KDM4EALDH1A1HPGDGAA

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
WO-2003068773-A1 PYRAZOLOPYRIDINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2003-08-21 — — WO disclosed
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