SCHEMBL24096473

SCHEMBL24096473

Nc1ncnc2[nH]nc(-c3ccc(NCNc4cc(C5(C(F)(F)F)CC5)no4)c(F)c3)c12

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NEK7 Q8TDX7 19/20 0.49
FLT3 P36888 1/20 0.33

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
SCHEMBL30320596 0.85 NEK7 (0.65) NEK7FLT3
SCHEMBL24096531 0.85 NEK7 (0.65) NEK7FLT3
SCHEMBL24096779 0.81 NEK7 (0.52) NEK7
SCHEMBL25911305 0.77 NEK7 (0.78) NEK7
SCHEMBL24096698 0.75 NEK7 (0.46) NEK7
SCHEMBL30320498 0.75 NEK7 (0.66) NEK7FLT3
SCHEMBL24096483 0.75 NEK7 (0.66) NEK7FLT3
SCHEMBL23997161 0.72 NEK7 (0.56) NEK7
SCHEMBL24096617 0.71 NEK7 (0.49) NEK7
SCHEMBL24096583 0.70 NEK7 (0.66) NEK7

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-2021252488-A1 INHIBITORS OF NEK7 KINASE Halia Therapeutics, Inc. (US) 2021-12-16 WO disclosed