SCHEMBL23606964

SCHEMBL23606964

CC(=O)Nc1nnc(Cl)cc1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ PTK2 Q05397 1/20 0.35
▸ CA1 P00915 2/20 0.35
▸ CA2 P00918 2/20 0.35
▸ CA9 Q16790 2/20 0.35
▸ PGK1 P00558 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.34
▸ KDM4E B2RXH2 3/20 0.33
▸ LMNA P02545 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ IGF1R P08069 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ RAB9A P51151 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
SCHEMBL21885794 0.82 S1PR2 (0.32) LMNAALDH1A1MAPTNFKB1NFKB2
SCHEMBL27238732 0.79 KMT2A (0.42) CA1CA2CA9LMNANPC1
SCHEMBL9995068 0.77 PTK2 (0.49) DYRK1AL3MBTL1PTK2LMNAALDH1A1
SCHEMBL21827717 0.74 KLK7 (0.50) KDM4EHSD17B10NPSR1ALDH1A1NPC1
SCHEMBL2489789 0.70 ALDH1A1 (0.42) L3MBTL1PTK2CA1CA2CA9
SCHEMBL28968518 0.69 ALDH1A1 (0.46) PTK2CA1CA2CA9RXFP1
SCHEMBL11637557 0.69 MAPT (0.51) DYRK1AL3MBTL1PTK2LMNANPSR1
SCHEMBL26694673 0.69 ALDH1A1 (0.42) DYRK1AL3MBTL1KDM4ENPSR1ALDH1A1
SCHEMBL23994067 0.68 MEN1 (0.33) NPC1RAB9A
SCHEMBL28947340 0.68 MEN1 (0.33) NPC1RAB9A

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-2021133917-A1 SMARCA INHIBITORS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2021-07-01 — — WO disclosed
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