SCHEMBL21568284

SCHEMBL21568284

N#Cc1cc(F)c(NC(=O)Nc2nc3ccc(OC(F)(F)F)cc3s2)cc1F

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 1/20 0.59
▸ HDAC3 O15379 1/20 0.52
▸ HDAC4 P56524 1/20 0.52
▸ HDAC1 Q13547 1/20 0.52
▸ HDAC7 Q8WUI4 1/20 0.52
▸ HDAC2 Q92769 1/20 0.52
▸ HDAC10 Q969S8 1/20 0.52
▸ HDAC11 Q96DB2 1/20 0.52
▸ HDAC8 Q9BY41 1/20 0.52
▸ HDAC6 Q9UBN7 1/20 0.52
▸ HDAC9 Q9UKV0 1/20 0.52
▸ HDAC5 Q9UQL6 1/20 0.52
▸ ACP1 P24666 1/20 0.51
▸ RIPK1 Q13546 2/20 0.49
▸ RIPK3 Q9Y572 2/20 0.49
▸ CSNK1D P48730 5/20 0.49
▸ KDR P35968 2/20 0.48
▸ TEK Q02763 2/20 0.48
▸ RAB9A P51151 3/20 0.47
▸ MEN1 O00255 2/20 0.47

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
SCHEMBL21568093 0.87 DYRK1A (0.59) DYRK1AHDAC3HDAC4HDAC1HDAC7
SCHEMBL21568734 0.87 DYRK1A (0.59) DYRK1AHDAC3HDAC4HDAC1HDAC7
SCHEMBL21568278 0.85 DYRK1A (0.56) DYRK1AACP1CSNK1DKDRTEK
SCHEMBL18154477 0.84 DYRK1A (0.81) DYRK1AHDAC3HDAC4HDAC1HDAC7
SCHEMBL21568761 0.83 DYRK1A (0.53) DYRK1AACP1RAB9AMEN1KMT2A
SCHEMBL21568188 0.83 DYRK1A (0.61) DYRK1AHDAC3HDAC4HDAC1HDAC7
SCHEMBL21568287 0.83 DYRK1A (0.61) DYRK1AHDAC3HDAC4HDAC1HDAC7
SCHEMBL21568108 0.83 DYRK1A (0.61) DYRK1AHDAC3HDAC4HDAC1HDAC7
SCHEMBL21568347 0.80 DYRK1A (0.58) DYRK1AHDAC3HDAC4HDAC1HDAC7
SCHEMBL21568264 0.80 DYRK1A (0.58) DYRK1AHDAC3HDAC4HDAC1HDAC7

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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