SCHEMBL20084029

SCHEMBL20084029

CSNc1cc2cc(C(=O)/C(C#N)=C/N(C)C)n(SI)c2cc1C

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.34
▸ RAB9A P51151 5/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ ALDH1A1 P00352 4/20 0.33
▸ LMNA P02545 1/20 0.33
▸ NPC1 O15118 2/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ NPSR1 Q6W5P4 2/20 0.31
▸ MAPT P10636 2/20 0.30
▸ RECQL P46063 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30

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
SCHEMBL20084119 0.97 HPGD (0.35) HPGDRAB9AL3MBTL1ALDH1A1LMNA
SCHEMBL20084271 0.89 RAB9A (0.37) HPGDRAB9AL3MBTL1ALDH1A1LMNA
SCHEMBL20085209 0.88 HPGD (0.39) HPGDRAB9AL3MBTL1ALDH1A1LMNA
SCHEMBL20084143 0.87 — —
SCHEMBL21572131 0.87 HPGD (0.33) HPGDRAB9AL3MBTL1ALDH1A1LMNA
SCHEMBL20084249 0.86 POLB (0.34) HPGDRAB9AL3MBTL1ALDH1A1NPC1
SCHEMBL20084345 0.85 HPGD (0.36) HPGDRAB9AL3MBTL1ALDH1A1LMNA
SCHEMBL21572148 0.83 HPGD (0.34) HPGDRAB9AL3MBTL1ALDH1A1LMNA
SCHEMBL20084115 0.83 RAB9A (0.31) HPGDRAB9AL3MBTL1ALDH1A1NPC1
SCHEMBL20084030 0.82 HPGD (0.31) HPGDRAB9AL3MBTL1

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
EP-3312172-B1 AMINOPYRAZOLE DERIVATIVES USEFUL AS SRC KINASE INHIBITORS CHUGAI PHARMACEUTICAL CO LTD (JP) 2020-05-06 — — EP disclosed
EP-3312172-A1 AMINOPYRAZOLE DERIVATIVES Chugai Seiyaku Kabushiki Kaisha (JP) 2018-04-25 — — EP disclosed
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