SCHEMBL21568693

SCHEMBL21568693

Cc1ccc(-c2cccc(NC(=O)Nc3nc4ccc(N=O)cc4s3)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 3/20 0.55
▸ DYRK1B Q9Y463 2/20 0.55
▸ ABL1 P00519 3/20 0.53
▸ PIK3CG P48736 3/20 0.52
▸ MAPT P10636 6/20 0.50
▸ MEN1 O00255 5/20 0.50
▸ KMT2A Q03164 5/20 0.50
▸ POLB P06746 4/20 0.50
▸ NPC1 O15118 4/20 0.50
▸ RAB9A P51151 4/20 0.50
▸ LMNA P02545 3/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ NFKB1 P19838 2/20 0.50
▸ NFKB2 Q00653 2/20 0.50
▸ RELA Q04206 2/20 0.50
▸ HTT P42858 2/20 0.50
▸ HDAC6 Q9UBN7 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ ATM Q13315 1/20 0.50

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
SCHEMBL23256896 0.84 DYRK1A (0.58) DYRK1ADYRK1BABL1PIK3CGMAPT
SCHEMBL27093077 0.80 DYRK1A (0.67) DYRK1ADYRK1BMAPTMEN1KMT2A
SCHEMBL21568117 0.79 DYRK1A (0.60) DYRK1ADYRK1BMAPTMEN1KMT2A
SCHEMBL6067759 0.79 ABL1 (0.72) DYRK1ADYRK1BABL1PIK3CGMAPT
SCHEMBL21568317 0.78 PIK3CA (0.60) DYRK1ADYRK1BPIK3CGMAPTMEN1
SCHEMBL4124786 0.77 DYRK1A (0.74) DYRK1ADYRK1BMAPTMEN1KMT2A
SCHEMBL6068042 0.76 ABL1 (0.82) DYRK1ADYRK1BABL1PIK3CGMAPT
SCHEMBL27093078 0.76 KDR (0.75) DYRK1ADYRK1BMAPTMEN1KMT2A
SCHEMBL8290119 0.76 DYRK1A (0.62) DYRK1ADYRK1BMAPTMEN1KMT2A
SCHEMBL1651394 0.76 PIK3CG (0.79) DYRK1AABL1PIK3CGMAPTMEN1

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-2019217509-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER HB THERAPEUTICS INC. (US) 2019-11-14 — — WO disclosed
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