SCHEMBL18052124

SCHEMBL18052124

Nc1cnc2[nH]cc(-c3ncc(F)c(NC4CCCCC4)n3)c2c1

nearest known ligand 0.77

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GSK3A P49840 4/20 0.53
▸ GSK3B P49841 4/20 0.53
▸ FLT3 P36888 4/20 0.53
▸ JAK2 O60674 3/20 0.53
▸ PRKACA P17612 3/20 0.53
▸ PIK3CG P48736 3/20 0.53
▸ PLK1 P53350 3/20 0.53
▸ PIK3CD O00329 2/20 0.53
▸ ROCK2 O75116 2/20 0.53
▸ SRC P12931 2/20 0.53
▸ KDR P35968 2/20 0.53
▸ ROCK1 Q13464 2/20 0.53
▸ PIK3CA P42336 2/20 0.52
▸ PIK3CB P42338 1/20 0.52
▸ SYK P43405 1/20 0.52
▸ IRAK4 Q9NWZ3 1/20 0.52

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
SCHEMBL10304368 0.89 GSK3A (0.64) GSK3AGSK3BFLT3JAK2PRKACA
SCHEMBL27851301 0.89 GSK3A (0.64) GSK3AGSK3BFLT3JAK2PRKACA
SCHEMBL8942746 0.87 — —
SCHEMBL10304390 0.86 — —
SCHEMBL19325116 0.85 KMT2A (0.49) GSK3AGSK3BFLT3JAK2PRKACA
SCHEMBL10304567 0.85 GSK3A (0.51) GSK3AGSK3BFLT3JAK2PRKACA
SCHEMBL10304147 0.84 — —
SCHEMBL18306385 0.82 GSK3A (0.50) GSK3AGSK3BFLT3JAK2PRKACA
SCHEMBL10304636 0.82 CDC7 (0.59) GSK3AGSK3BFLT3JAK2PRKACA
SCHEMBL10304475 0.81 GSK3A (0.55) GSK3AGSK3B

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-3141252-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION Vertex Pharmaceuticals Inc. (US) 2017-03-15 — — EP disclosed
EP-2442809-B1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMA (US) 2016-08-31 — — EP disclosed
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