SCHEMBL11950311

SCHEMBL11950311

C=C(Nc1cc(C(=O)OC)ccc1C)c1cc2ccccc2[nH]c1=O

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 4/20 0.59
▸ DYRK1B Q9Y463 3/20 0.59
▸ POLB P06746 2/20 0.45
▸ PARP1 P09874 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ RXFP1 Q9HBX9 2/20 0.43
▸ BRD4 O60885 1/20 0.42
▸ PADI4 Q9UM07 1/20 0.42
▸ KIF11 P52732 1/20 0.42
▸ TSHR P16473 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ MAPK14 Q16539 1/20 0.39

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
SCHEMBL10319230 0.89 DYRK1A (0.74) DYRK1ADYRK1BPOLBPARP1L3MBTL1
SCHEMBL11950546 0.79 DYRK1A (0.82) DYRK1ADYRK1B
SCHEMBL3632228 0.76 PADI4 (0.56) POLBPARP1L3MBTL1RXFP1BRD4
SCHEMBL21639567 0.75 EGFR (0.54) DYRK1ADYRK1BL3MBTL1RXFP1KDM4E
SCHEMBL10318281 0.74 DYRK1A (1.00) DYRK1ADYRK1BKDM4EALDH1A1KMT2A
SCHEMBL11950316 0.74 DYRK1A (0.64) DYRK1ADYRK1BPOLBTSHRKDM4E
SCHEMBL11949573 0.73 DYRK1A (0.56) DYRK1ADYRK1BKDM4EALDH1A1MAPT
SCHEMBL11950360 0.72 DYRK1A (0.60) DYRK1ADYRK1BKDM4EALDH1A1SMN1; SMN2
SCHEMBL11952847 0.72 DYRK1A (0.65) DYRK1ADYRK1B
SCHEMBL10321271 0.71 DYRK1A (0.72) DYRK1ADYRK1BALDH1A1MAPTMAPK14

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
WO-2012098070-A1 QUINOLINE DYRK1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 — — WO disclosed
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