SCHEMBL21568360

SCHEMBL21568360

CBc1ccc(NC(=O)Nc2nc3ccc(OC(F)(F)F)cc3s2)cc1C#N

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 1/20 0.57
▸ HSD17B10 Q99714 4/20 0.53
▸ CSNK1D P48730 5/20 0.52
▸ HDAC6 Q9UBN7 2/20 0.49
▸ HDAC3 O15379 1/20 0.49
▸ HDAC4 P56524 1/20 0.49
▸ HDAC1 Q13547 1/20 0.49
▸ HDAC7 Q8WUI4 1/20 0.49
▸ HDAC2 Q92769 1/20 0.49
▸ HDAC10 Q969S8 1/20 0.49
▸ HDAC11 Q96DB2 1/20 0.49
▸ HDAC8 Q9BY41 1/20 0.49
▸ HDAC9 Q9UKV0 1/20 0.49
▸ HDAC5 Q9UQL6 1/20 0.49
▸ MEN1 O00255 3/20 0.48
▸ NPC1 O15118 3/20 0.48
▸ RAB9A P51151 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ POLB P06746 2/20 0.48
▸ MAPT P10636 2/20 0.48

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
SCHEMBL21568188 0.89 DYRK1A (0.61) DYRK1AHSD17B10CSNK1DHDAC6HDAC3
SCHEMBL21568734 0.87 DYRK1A (0.59) DYRK1AHSD17B10CSNK1DHDAC6HDAC3
SCHEMBL21568264 0.86 DYRK1A (0.58) DYRK1AHSD17B10CSNK1DHDAC6HDAC3
SCHEMBL21568094 0.86 CSNK1D (0.58) DYRK1AHSD17B10CSNK1DHDAC6HDAC3
SCHEMBL21568093 0.85 DYRK1A (0.59) DYRK1AHSD17B10CSNK1DHDAC6HDAC3
SCHEMBL21568172 0.81 DYRK1A (0.60) DYRK1AHSD17B10CSNK1DHDAC6HDAC3
SCHEMBL18154477 0.81 DYRK1A (0.81) DYRK1AHSD17B10CSNK1DHDAC6HDAC3
SCHEMBL21568287 0.80 DYRK1A (0.61) DYRK1AHSD17B10CSNK1DHDAC6HDAC3
SCHEMBL21569137 0.78 DYRK1A (0.59) DYRK1AHSD17B10CSNK1DHDAC6HDAC3
SCHEMBL21568284 0.78 DYRK1A (0.59) DYRK1AHSD17B10CSNK1DHDAC6HDAC3

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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