SCHEMBL30481365

SCHEMBL30481365

CN(C)/C=C/c1cnccc1C#N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.40
▸ KMT2A Q03164 3/20 0.36
▸ MAPT P10636 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ SLC22A12 Q96S37 3/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ NCOA3 Q9Y6Q9 1/20 0.34
▸ GAA P10253 1/20 0.33
▸ ROCK2 O75116 1/20 0.32
▸ ROCK1 Q13464 1/20 0.32
▸ CDC42BPA Q5VT25 1/20 0.32
▸ CDC42BPB Q9Y5S2 1/20 0.32
▸ IRAK4 Q9NWZ3 1/20 0.32
▸ PRKCQ Q04759 1/20 0.32
▸ PRKCD Q05655 1/20 0.32
▸ CCNT1 O60563 1/20 0.31
▸ CDK9 P50750 1/20 0.31

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
SCHEMBL1550437 1.00 HTT (0.40) HTTKMT2AMAPTMEN1ALDH1A1
SCHEMBL1550435 1.00 HTT (0.40) HTTKMT2AMAPTMEN1ALDH1A1
SCHEMBL2982328 0.87 HTT (0.40) HTTKMT2AMAPTMEN1ALDH1A1
SCHEMBL13773302 0.87 HTT (0.40) HTTKMT2AMAPTMEN1ALDH1A1
SCHEMBL3828343 0.87 HTT (0.40) HTTKMT2AMAPTMEN1ALDH1A1
SCHEMBL6478807 0.75 TSHR (0.42) HTTKMT2AMAPTMEN1ALDH1A1
SCHEMBL6478809 0.75 TSHR (0.42) HTTKMT2AMAPTMEN1ALDH1A1
SCHEMBL13415701 0.75 HTT (0.36) HTTKMT2AMAPTMEN1ALDH1A1
SCHEMBL24212085 0.73 HTT (0.46) HTTKMT2AMEN1ALDH1A1SLC22A12
SCHEMBL29950969 0.73 HTT (0.46) HTTKMT2AMEN1ALDH1A1SLC22A12

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-4444421-A2 HETEROCYCLIC COMPOUNDS AS DYRK1A INHIBITORS Prothena Biosciences Limited (IE) 2024-10-16 — — EP disclosed
WO-2023107714-A2 METHODS FOR TREATING NEUROLOGICAL DISORDERS PROTHENA BIOSCIENCES LIMITED (IE) 2023-06-15 — — WO disclosed
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