SCHEMBL30886220

SCHEMBL30886220

FC(F)(F)C1CCC(c2ccc3scnc3c2)NC1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 3/20 0.32
▸ CLK4 Q9HAZ1 3/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ CLK1 P49759 1/20 0.31
▸ CLK2 P49760 1/20 0.31
▸ RIPK2 O43353 1/20 0.31
▸ PRMT5 O14744 1/20 0.30
▸ WDR77 Q9BQA1 1/20 0.30
▸ TRPA1 O75762 1/20 0.30

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
SCHEMBL31506590 0.82 DYRK1A (0.34) DYRK1ACLK4ALDH1A1HSD17B10CLK1
SCHEMBL30470212 0.82 PRMT5 (0.39) DYRK1ACLK4ALDH1A1HSD17B10CLK1
SCHEMBL25670004 0.82 PRMT5 (0.39) DYRK1ACLK4ALDH1A1HSD17B10CLK1
SCHEMBL25320666 0.82 PRMT5 (0.39) DYRK1ACLK4ALDH1A1HSD17B10CLK1
SCHEMBL30470799 0.82 PRMT5 (0.39) DYRK1ACLK4ALDH1A1HSD17B10CLK1
SCHEMBL24365117 0.82 PRMT5 (0.39) DYRK1ACLK4ALDH1A1HSD17B10CLK1
SCHEMBL31390346 0.77 CHRNB2 (0.44) DYRK1ACLK4ALDH1A1HSD17B10RIPK2
SCHEMBL24363885 0.77 CHRNB2 (0.44) DYRK1ACLK4ALDH1A1HSD17B10RIPK2
SCHEMBL25327271 0.75 ALDH1A1 (0.34) DYRK1ACLK4ALDH1A1HSD17B10CLK1
SCHEMBL25324534 0.75 ALDH1A1 (0.34) DYRK1ACLK4ALDH1A1HSD17B10CLK1

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
CN-118047793-A Pyridine derivative and application thereof 成都百裕制药股份有限公司 2024-05-17 — — CN disclosed
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