SCHEMBL4745481

SCHEMBL4745481

Cc1ccc2sc(C(N)=O)cc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 4/20 0.50
DYRK1B Q9Y463 4/20 0.50
CDK8 P49336 2/20 0.50
CYP2A6 P11509 1/20 0.50
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
CHEK1 O14757 1/20 0.50
AURKA O14965 1/20 0.50
DAPK3 O43293 1/20 0.50
PRKD3 O94806 1/20 0.50
MAP4K4 O95819 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
SCHEMBL24360345 0.86 HDAC1 (0.68) DYRK1ADYRK1BCDK8HDAC3HDAC4
SCHEMBL6840172 0.84 DYRK1A (0.69) DYRK1ADYRK1BCYP2A6HDAC3HDAC4
SCHEMBL2801905 0.84 BCL2L1 (0.59) DYRK1ADYRK1BCYP2A6HDAC3HDAC4
SCHEMBL17149287 0.82 CYP2A6 (0.50) DYRK1ADYRK1BCYP2A6HDAC3HDAC4
SCHEMBL17149303 0.81 HDAC1 (0.58) DYRK1ADYRK1BCYP2A6HDAC3HDAC4
Hydrochloric Acid SCHEMBL9431550 0.81 F9 (0.60) CYP2A6HDAC3HDAC4HDAC1HDAC7
SCHEMBL17149302 0.81 HDAC1 (0.76) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7075713 0.80 DYRK1A (0.69) DYRK1ADYRK1BCDK8CHEK1AURKA
SCHEMBL312215 0.80 DYRK1A (0.51) DYRK1ADYRK1BCDK8CHEK1AURKA
SCHEMBL17325491 0.79 LMNA (0.69) DYRK1ADYRK1BCYP2A6HDAC3HDAC4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008099165-A1 PIPERIDINE DERIVATIVES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES ASTRAZENECA AB (SE) 2008-08-21 WO claimed
US-9894901-B2 Method for promoting plant growth SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-02-20 US disclosed
EP-1461335-B1 2-HETEROARYLCARBOXYLIC ACID AMIDES BAYER HEALTHCARE AG (DE) 2007-02-28 EP disclosed