Sugi Predict

Sugi Predict / Compounds / SCHEMBL30320642

SCHEMBL30320642

SCHEMBL30320642

ClB(Cl)Cl.Nc1ncnc2c1c(-c1ccc(NC(=O)Nc3cc(C4(C(F)(F)F)CC4)on3)c(F)c1)nn2C1CC(O)C1

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ NEK7 Q8TDX7 17/20 0.66
▸ FLT3 P36888 3/20 0.42

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
SCHEMBL30320545 0.97 NEK7 (0.69) NEK7FLT3
SCHEMBL24096573 0.97 NEK7 (0.69) NEK7FLT3
SCHEMBL30320636 0.92 NEK7 (0.75) NEK7
SCHEMBL24096497 0.92 NEK7 (0.75) NEK7
SCHEMBL30320637 0.89 NEK7 (0.67) NEK7FLT3
SCHEMBL24096481 0.89 NEK7 (0.67) NEK7FLT3
SCHEMBL25818004 0.89 NEK7 (0.57) NEK7FLT3
SCHEMBL30320450 0.89 NEK7 (0.64) NEK7
SCHEMBL24096555 0.88 NEK7 (0.67) NEK7
SCHEMBL30320503 0.88 NEK7 (0.67) 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
EP-4161933-A1 INHIBITORS OF NEK7 KINASE Halia Therapeutics, Inc. (US) 2023-04-12 — — EP disclosed