SCHEMBL31254537

SCHEMBL31254537

Fc1ccc2c(c1)CN=C(c1ccc3scnc3c1)C2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RIPK2 O43353 5/20 0.36
▸ NPC1 O15118 3/20 0.33
▸ RAB9A P51151 3/20 0.33
▸ ALOX5AP P20292 1/20 0.33
▸ FEN1 P39748 1/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ FASN P49327 1/20 0.33
▸ TRPV3 Q8NET8 1/20 0.32
▸ PIK3CD O00329 1/20 0.32
▸ VRK1 Q99986 1/20 0.32
▸ MAP3K11 Q16584 1/20 0.32
▸ EGFR P00533 1/20 0.32
▸ KDR P35968 1/20 0.32
▸ TGFBR1 P36897 1/20 0.32
▸ AKT1 P31749 1/20 0.31
▸ PIK3CA P42336 1/20 0.31
▸ MTOR P42345 1/20 0.31
▸ FFAR1 O14842 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31

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
SCHEMBL31021270 0.84 ALDH1A1 (0.41) RIPK2ALOX5APFEN1FASNPIK3CD
SCHEMBL29388659 0.72 ALDH1A1 (0.50) RIPK2NPC1RAB9AALOX5APFEN1
SCHEMBL4054554 0.72 ALDH1A1 (0.50) RIPK2NPC1RAB9AALOX5APFEN1
Hydrochloric Acid SCHEMBL27261649 0.70 ALDH1A1 (0.47) RIPK2NPC1RAB9AALOX5APFEN1
SCHEMBL28048502 0.69 ALDH1A1 (0.54) RIPK2NPC1RAB9AALOX5APFEN1
SCHEMBL3311489 0.69 DYRK1A (0.46) RIPK2ALOX5APFEN1FASNTRPV3
SCHEMBL1851318 0.67 TRPV3 (0.44) RIPK2NPC1RAB9AALOX5APFEN1
SCHEMBL1854129 0.66 CYP2A6 (0.45) RIPK2ALOX5APFEN1FASNTRPV3
SCHEMBL31500084 0.66 CHRNB4 (0.45) RIPK2FASNEGFRKDRTGFBR1
SCHEMBL28357109 0.65 PIK3CD (0.38) RIPK2ALOX5APFEN1FASNTRPV3

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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