SCHEMBL31424111

SCHEMBL31424111

CC1COCC(c2ccc3scnc3c2)=N1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 1/20 0.34
▸ TGFBR1 P36897 8/20 0.34
▸ RIPK2 O43353 7/20 0.34
▸ KDR P35968 7/20 0.34
▸ LCK P06239 6/20 0.34
▸ FASN P49327 1/20 0.34
▸ CTSC P53634 1/20 0.33
▸ PDE10A Q9Y233 2/20 0.33
▸ RIPK1 Q13546 1/20 0.33
▸ RIPK3 Q9Y572 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ ALOX5AP P20292 1/20 0.32
▸ FEN1 P39748 1/20 0.32
▸ MCL1 Q07820 3/20 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
SCHEMBL31017209 0.80 FFAR1 (0.36) FFAR1TGFBR1RIPK2KDRLCK
SCHEMBL31017197 0.77 TGFBR1 (0.36) FFAR1TGFBR1RIPK2KDRLCK
SCHEMBL28048502 0.71 ALDH1A1 (0.54) FFAR1TGFBR1RIPK2KDRLCK
SCHEMBL31043302 0.68 RIPK2 (0.35) FFAR1TGFBR1RIPK2KDRLCK
SCHEMBL17814082 0.66 CYP11B1 (0.37) TGFBR1RIPK2KDRLCKFASN
SCHEMBL31254525 0.66 RIPK2 (0.36) FFAR1TGFBR1RIPK2KDRLCK
SCHEMBL31043156 0.66 RIPK2 (0.33) FFAR1TGFBR1RIPK2ALDH1A1HSD17B10
SCHEMBL31043183 0.66 RIPK2 (0.33) FFAR1TGFBR1RIPK2ALDH1A1HSD17B10
SCHEMBL31424095 0.66 RIPK2 (0.33) FFAR1TGFBR1RIPK2ALDH1A1HSD17B10
SCHEMBL31043230 0.66 RIPK2 (0.33) FFAR1TGFBR1RIPK2ALDH1A1HSD17B10

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-119431378-A Ring-fused compound, pharmaceutical composition containing same, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2025-02-14 — — CN disclosed
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