SCHEMBL31017209

SCHEMBL31017209

CC1CCC(c2ccc3scnc3c2)=N1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 1/20 0.36
▸ RIPK2 O43353 6/20 0.36
▸ KDR P35968 6/20 0.36
▸ TGFBR1 P36897 6/20 0.36
▸ LCK P06239 5/20 0.36
▸ FASN P49327 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ EGFR P00533 1/20 0.34
▸ RIPK1 Q13546 1/20 0.34
▸ RIPK3 Q9Y572 1/20 0.34
▸ PDE10A Q9Y233 1/20 0.34
▸ DYRK1A Q13627 3/20 0.34
▸ CLK4 Q9HAZ1 2/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ ALOX5AP P20292 1/20 0.34
▸ FEN1 P39748 1/20 0.34
▸ HDAC4 P56524 1/20 0.34

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
SCHEMBL31017197 0.92 TGFBR1 (0.36) FFAR1RIPK2KDRTGFBR1LCK
SCHEMBL24366781 0.81 FFAR1 (0.35) FFAR1RIPK2KDRTGFBR1LCK
SCHEMBL24233949 0.81 FFAR1 (0.35) FFAR1RIPK2KDRTGFBR1LCK
SCHEMBL31424111 0.80 FFAR1 (0.34) FFAR1RIPK2KDRTGFBR1LCK
SCHEMBL28048502 0.74 ALDH1A1 (0.54) FFAR1RIPK2KDRTGFBR1LCK
SCHEMBL30886276 0.72 ALOX5AP (0.33) FFAR1RIPK2KDRTGFBR1LCK
SCHEMBL31500084 0.71 CHRNB4 (0.45) RIPK2KDRTGFBR1LCKFASN
SCHEMBL17508092 0.70 FASN (0.46) FFAR1RIPK2KDRTGFBR1LCK
SCHEMBL24365301 0.69 DYRK1A (0.43) TGFBR1RIPK1DYRK1A
SCHEMBL23878330 0.69 CYP11B2 (0.36) ALDH1A1SMN1; SMN2

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-118359604-A Protein arginine methyltransferase inhibitors 华润医药研究院(深圳)有限公司 2024-07-19 — — CN disclosed
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