SCHEMBL25419245

SCHEMBL25419245

N#Cc1ccccc1-c1ccc2[nH]nc(C=O)c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 1/20 0.52
▸ JAK2 O60674 1/20 0.42
▸ JAK1 P23458 1/20 0.42
▸ TYK2 P29597 1/20 0.42
▸ JAK3 P52333 1/20 0.42
▸ PRMT5 O14744 2/20 0.42
▸ WDR77 Q9BQA1 2/20 0.42
▸ CYP1A2 P05177 6/20 0.42
▸ CYP3A4 P08684 6/20 0.42
▸ HSD17B10 Q99714 4/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ CLK4 Q9HAZ1 3/20 0.42
▸ HPGD P15428 3/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ USP2 O75604 2/20 0.41
▸ CYP2D6 P10635 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ CYP2C9 P11712 1/20 0.41

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
SCHEMBL31472533 1.00 TRPA1 (0.52) TRPA1JAK2JAK1TYK2JAK3
SCHEMBL13183156 0.78 JAK2 (0.61) JAK2ALDH1A1CLK4HPGDKDM4E
SCHEMBL26394366 0.77 CYP1A2 (0.59) TRPA1JAK2JAK1TYK2JAK3
SCHEMBL4514654 0.75 TTK (0.48) LRRK2
SCHEMBL28809189 0.74 DYRK1A (0.53) JAK2JAK1TYK2JAK3PRMT5
SCHEMBL31133468 0.72 TTK (0.35) —
SCHEMBL13183137 0.71 JAK2 (0.44) JAK2TYK2JAK3CLK4
SCHEMBL13183135 0.70 DYRK1A (0.47) JAK2CYP3A4ESR2
SCHEMBL17297044 0.69 ESR2 (0.56) TRPA1PRMT5WDR77CYP1A2CYP3A4
SCHEMBL29950691 0.69 MAP2K1 (0.59) JAK1TYK2JAK3CYP1A2CYP3A4

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-4444721-A1 COMPOUNDS FOR USE IN TREATING NEUROLOGICAL DISORDERS Prothena Biosciences Limited (IE) 2024-10-16 — — EP disclosed
WO-2023107722-A1 COMPOUNDS FOR USE IN TREATING NEUROLOGICAL DISORDERS PROTHENA BIOSCIENCES LIMITED (IE) 2023-06-15 — — WO disclosed
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