SCHEMBL31254526

SCHEMBL31254526

O=CN1CCOC=C1c1ccc2scnc2c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FASN P49327 1/20 0.42
▸ RIPK2 O43353 6/20 0.37
▸ LCK P06239 6/20 0.37
▸ KDR P35968 6/20 0.37
▸ TGFBR1 P36897 6/20 0.37
▸ MCL1 Q07820 2/20 0.36
▸ CSNK1D P48730 1/20 0.35
▸ CSNK1E P49674 1/20 0.35
▸ JAK2 O60674 2/20 0.35
▸ PDCD1 Q15116 1/20 0.34
▸ CD274 Q9NZQ7 1/20 0.34
▸ DYRK2 Q92630 5/20 0.34
▸ FFAR1 O14842 1/20 0.33

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
SCHEMBL31254538 0.77 CLK1 (0.35) FASNRIPK2LCKKDRTGFBR1
SCHEMBL31506597 0.74 DYRK2 (0.47) FASNRIPK2LCKKDRTGFBR1
SCHEMBL31021286 0.71 ALOX5AP (0.35) FASNRIPK2LCKKDRTGFBR1
SCHEMBL31254524 0.70 RIPK2 (0.41) FASNRIPK2LCKKDRTGFBR1
SCHEMBL31017210 0.70 RIPK2 (0.39) FASNRIPK2LCKKDRTGFBR1
SCHEMBL31254540 0.69 ALOX5AP (0.34) FASNRIPK2LCKKDRTGFBR1
SCHEMBL28048502 0.69 ALDH1A1 (0.54) FASNRIPK2LCKKDRTGFBR1
SCHEMBL31017219 0.68 RIPK2 (0.36) FASNRIPK2LCKKDRTGFBR1
SCHEMBL1419323 0.62 CYP2A6 (0.47) DYRK2
SCHEMBL927048 0.62 RIPK2 (0.60) FASNRIPK2LCKKDRTGFBR1

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-118772164-A Protein arginine methyltransferase inhibitors 华润医药研究院(深圳)有限公司 2024-10-15 — — CN disclosed
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