SCHEMBL29590259

SCHEMBL29590259

O=C(Nc1cccc(C(=O)c2ccc3ncc(N4CCOCC4)nc3c2)c1)c1ccc(F)c(F)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNQ3 O43525 2/20 0.60
▸ KCNQ2 O43526 2/20 0.60
▸ MAPT P10636 5/20 0.47
▸ LMNA P02545 4/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ TP53 P04637 1/20 0.47
▸ RAF1 P04049 6/20 0.46
▸ BRAF P15056 5/20 0.46
▸ NPC1 O15118 6/20 0.46
▸ RAB9A P51151 5/20 0.46
▸ CES1 P23141 1/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ GAA P10253 1/20 0.45
▸ HTT P42858 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ NFKB2 Q00653 1/20 0.44

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
SCHEMBL14785990 1.00 KCNQ3 (0.60) KCNQ3KCNQ2MAPTLMNAMAPK1
SCHEMBL14785867 0.92 KCNQ3 (0.51) KCNQ3KCNQ2MAPTLMNAMAPK1
SCHEMBL14783768 0.92 KCNQ3 (0.51) KCNQ3KCNQ2MAPTLMNAMAPK1
SCHEMBL29590325 0.92 KCNQ3 (0.51) KCNQ3KCNQ2MAPTLMNAMAPK1
SCHEMBL29590147 0.92 KCNQ3 (0.51) KCNQ3KCNQ2MAPTLMNAMAPK1
SCHEMBL29591012 0.92 MAPT (0.54) KCNQ3KCNQ2MAPTLMNAMAPK1
SCHEMBL14783332 0.92 MAPT (0.54) KCNQ3KCNQ2MAPTLMNAMAPK1
SCHEMBL29591611 0.91 RAB9A (0.52) KCNQ3KCNQ2MAPTLMNAMAPK1
SCHEMBL14786126 0.91 RAB9A (0.52) KCNQ3KCNQ2MAPTLMNAMAPK1
SCHEMBL14785849 0.90 KCNQ3 (0.59) KCNQ3KCNQ2MAPTLMNAMAPK1

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
CN-115403531-A Chemical entities, compositions, and methods as kinase inhibitors 润新生物公司 2022-11-29 — — CN disclosed
CN-108794411-B Certain chemical entities, compositions, and methods 润新生物公司 2022-06-07 — — CN disclosed
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