SCHEMBL30832861

SCHEMBL30832861

CN(c1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK13 O15264 1/20 0.44
▸ MAPK12 P53778 1/20 0.44
▸ MAPK11 Q15759 1/20 0.44
▸ MAPK14 Q16539 1/20 0.44
▸ GRIA1 P42261 4/20 0.41
▸ CACNG8 Q8WXS5 4/20 0.41
▸ PDE3B Q13370 3/20 0.40
▸ PDE3A Q14432 3/20 0.40
▸ MAPT P10636 4/20 0.39
▸ ALPL P05186 1/20 0.39
▸ ALPI P09923 1/20 0.39
▸ ALPG P10696 1/20 0.39
▸ GAA P10253 3/20 0.37
▸ PKM P14618 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.35
▸ CHEK1 O14757 1/20 0.33
▸ NEK2 P51955 1/20 0.33
▸ LIMK1 P53667 1/20 0.33
▸ DYRK1A Q13627 1/20 0.33

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
SCHEMBL22160850 1.00 MAPK13 (0.44) MAPK13MAPK12MAPK11MAPK14GRIA1
SCHEMBL17653262 0.74 KMT2A (0.49) MAPTALPLALPIALPGGAA
SCHEMBL12138257 0.73 AR (0.46) GRIA1CACNG8PDE3BPDE3AMAPT
SCHEMBL17653277 0.72 KMT2A (0.51) MAPTGAAKMT2APOLBSMN1; SMN2
SCHEMBL17653363 0.71 GAA (0.56) MAPTGAAKMT2ASMN1; SMN2
SCHEMBL17653325 0.71 GAA (0.58) GRIA1CACNG8MAPTGAAKMT2A
SCHEMBL7009591 0.70 CYP3A4 (0.48) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL30936642 0.69 MAPK13 (0.43) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL5741661 0.69 MAPK13 (0.43) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL15268120 0.69 CHEK1 (0.48) MAPK13MAPK12MAPK11MAPK14MAPT

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-111315735-B Dihydrobenzimidazolone C4医药公司 2024-03-08 — — CN disclosed
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