SCHEMBL31021270

SCHEMBL31021270

c1ccc2c(c1)CN=C(c1ccc3scnc3c1)C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ RIPK2 O43353 7/20 0.39
▸ KDR P35968 5/20 0.39
▸ TGFBR1 P36897 5/20 0.39
▸ EGFR P00533 1/20 0.39
▸ PIK3CD O00329 1/20 0.37
▸ RIPK3 Q9Y572 2/20 0.36
▸ PDE10A Q9Y233 2/20 0.36
▸ ALOX5AP P20292 1/20 0.35
▸ FEN1 P39748 1/20 0.35
▸ FASN P49327 1/20 0.35
▸ PFKFB3 Q16875 1/20 0.34
▸ FFAR1 O14842 1/20 0.33
▸ ACP1 P24666 1/20 0.33
▸ LCK P06239 4/20 0.33
▸ DYRK1A Q13627 1/20 0.33
▸ SLC6A2 P23975 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ SLC6A3 Q01959 1/20 0.32

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
SCHEMBL31254537 0.84 RIPK2 (0.36) ALDH1A1HSD17B10RIPK2KDRTGFBR1
SCHEMBL28048502 0.73 ALDH1A1 (0.54) ALDH1A1HSD17B10RIPK2KDRTGFBR1
SCHEMBL29478085 0.72 RIPK2 (0.60) ALDH1A1HSD17B10RIPK2KDRTGFBR1
SCHEMBL927048 0.72 RIPK2 (0.60) ALDH1A1HSD17B10RIPK2KDRTGFBR1
SCHEMBL31500084 0.70 CHRNB4 (0.45) ALDH1A1HSD17B10RIPK2KDRTGFBR1
SCHEMBL12567719 0.69 CHRNB4 (0.41) ALDH1A1KDR
SCHEMBL16429194 0.66 QPCT (0.48) ALDH1A1HSD17B10RIPK2KDRTGFBR1
SCHEMBL21508018 0.66 ALOX5AP (0.49) ALDH1A1HSD17B10RIPK2KDRTGFBR1
SCHEMBL24366781 0.66 FFAR1 (0.35) ALDH1A1HSD17B10RIPK2KDRTGFBR1
SCHEMBL24233949 0.66 FFAR1 (0.35) ALDH1A1HSD17B10RIPK2KDRTGFBR1

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
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
CN-118359603-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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