SCHEMBL31254524

SCHEMBL31254524

C1=C(c2ccc3scnc3c2)NCCO1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RIPK2 O43353 6/20 0.41
▸ KDR P35968 4/20 0.41
▸ TGFBR1 P36897 4/20 0.41
▸ LCK P06239 3/20 0.41
▸ FASN P49327 1/20 0.39
▸ EGFR P00533 1/20 0.38
▸ MCL1 Q07820 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ DYRK2 Q92630 2/20 0.36
▸ CCNC P24863 1/20 0.35
▸ CDK8 P49336 1/20 0.35
▸ CDK19 Q9BWU1 1/20 0.35
▸ CTSC P53634 1/20 0.35
▸ PDE10A Q9Y233 1/20 0.35
▸ FFAR1 O14842 1/20 0.34
▸ RIPK3 Q9Y572 1/20 0.34
▸ CSNK1D P48730 1/20 0.34
▸ CSNK1E P49674 1/20 0.34
▸ ACP1 P24666 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
SCHEMBL31254525 0.75 RIPK2 (0.36) RIPK2KDRTGFBR1LCKFASN
SCHEMBL31043302 0.75 RIPK2 (0.35) RIPK2KDRTGFBR1LCKFASN
SCHEMBL28048502 0.75 ALDH1A1 (0.54) RIPK2KDRTGFBR1LCKFASN
SCHEMBL31390348 0.75 RIPK2 (0.46) RIPK2KDRTGFBR1LCKFASN
SCHEMBL31254526 0.70 FASN (0.42) RIPK2KDRTGFBR1LCKFASN
SCHEMBL2458585 0.68 NISCH (0.46) RIPK2KDRTGFBR1LCKEGFR
SCHEMBL2462260 0.68 RIPK2 (0.61) RIPK2RIPK3
SCHEMBL25786944 0.68 RIPK2 (0.38) RIPK2KDRTGFBR1LCKFASN
SCHEMBL31017216 0.68 RIPK2 (0.38) RIPK2KDRTGFBR1LCKFASN
SCHEMBL29478085 0.67 RIPK2 (0.60) RIPK2KDRTGFBR1LCKFASN

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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