SCHEMBL30795396

SCHEMBL30795396

CC(C)(N)C(=O)NC(C)(C)C(=O)Nc1nc2ccc(OC(F)(F)F)cc2s1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.69
HDAC3 O15379 1/20 0.57
HDAC4 P56524 1/20 0.57
HDAC1 Q13547 1/20 0.57
HDAC7 Q8WUI4 1/20 0.57
HDAC2 Q92769 1/20 0.57
HDAC10 Q969S8 1/20 0.57
HDAC11 Q96DB2 1/20 0.57
HDAC8 Q9BY41 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
HDAC9 Q9UKV0 1/20 0.57
HDAC5 Q9UQL6 1/20 0.57
CSNK1D P48730 4/20 0.55
ACP1 P24666 1/20 0.53
CSNK2A2 P19784 1/20 0.53
CSNK2B P67870 1/20 0.53
CSNK2A1 P68400 1/20 0.53
CSNK2A3 Q8NEV1 1/20 0.53
WNT3A P56704 1/20 0.53
NPC1 O15118 6/20 0.51

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
SCHEMBL18154360 1.00 DYRK1A (0.69) DYRK1AHDAC3HDAC4HDAC1HDAC7
SCHEMBL18154229 0.92 DYRK1A (0.76) DYRK1AHDAC3HDAC4HDAC1HDAC7
SCHEMBL18154318 0.90 DYRK1A (0.64) DYRK1AHDAC3HDAC4HDAC1HDAC7
SCHEMBL18154305 0.89 DYRK1A (0.65) DYRK1AHDAC3HDAC4HDAC1HDAC7
SCHEMBL18154257 0.88 DYRK1A (0.64) DYRK1AHDAC3HDAC4HDAC1HDAC7
SCHEMBL18154458 0.88 DYRK1A (0.64) DYRK1AHDAC3HDAC4HDAC1HDAC7
SCHEMBL18154459 0.88 DYRK1A (0.64) DYRK1AHDAC3HDAC4HDAC1HDAC7
SCHEMBL29698917 0.88 DYRK1A (0.66) DYRK1AHDAC3HDAC4HDAC1HDAC7
SCHEMBL30794934 0.87 DYRK1A (0.62) DYRK1AHDAC3HDAC4HDAC1HDAC7
SCHEMBL18154288 0.87 DYRK1A (0.62) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4584250-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS Biohaven Therapeutics Ltd. (VG) 2025-07-16 EP disclosed
WO-2024054811-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 WO disclosed