SCHEMBL20084873

SCHEMBL20084873

Cc1cc2cc(C(=O)/C(C#N)=C/N(C)C)n(SI)c2cc1N

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.36
▸ LMNA P02545 1/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ RAB9A P51151 5/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ ALDH1A1 P00352 4/20 0.33
▸ CYP2C9 P11712 1/20 0.32
▸ MAPT P10636 2/20 0.32
▸ RECQL P46063 1/20 0.32
▸ 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

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
SCHEMBL20085209 0.91 HPGD (0.39) HPGDLMNANPSR1RAB9AL3MBTL1
SCHEMBL21572168 0.89 NPSR1 (0.37) HPGDLMNANPSR1RAB9AL3MBTL1
SCHEMBL20084119 0.85 HPGD (0.35) HPGDLMNANPSR1RAB9AL3MBTL1
SCHEMBL21572148 0.83 HPGD (0.34) HPGDLMNANPSR1RAB9AL3MBTL1
SCHEMBL20084063 0.82 RAB9A (0.38) HPGDLMNANPSR1RAB9AL3MBTL1
SCHEMBL20084029 0.82 HPGD (0.34) HPGDLMNANPSR1RAB9AL3MBTL1
SCHEMBL20084284 0.81 ALDH1A1 (0.33) HPGDLMNAALDH1A1MAPTMEN1
SCHEMBL20084354 0.81 HPGD (0.38) HPGDLMNANPSR1RAB9AL3MBTL1
SCHEMBL21572131 0.80 HPGD (0.33) HPGDLMNANPSR1RAB9AL3MBTL1
SCHEMBL20084024 0.80 HPGD (0.34) HPGDLMNANPSR1RAB9AL3MBTL1

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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