SCHEMBL23533909

SCHEMBL23533909

CC1NCCc2ccc(NC(=O)c3n[nH]c4ccc(-c5cccnc5F)cc34)cc21

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 18/20 0.58
CLK2 P49760 2/20 0.58
CLK3 P49761 2/20 0.58
WNT1 P04628 12/20 0.51
GSK3B P49841 1/20 0.44
KCNH2 Q12809 1/20 0.44

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
SCHEMBL29754063 1.00 DYRK1A (0.58) DYRK1ACLK2CLK3WNT1GSK3B
SCHEMBL29754038 0.84 DYRK1A (0.62) DYRK1ACLK2CLK3WNT1GSK3B
SCHEMBL23533925 0.84 DYRK1A (0.62) DYRK1ACLK2CLK3WNT1GSK3B
SCHEMBL31123859 0.83 DYRK1A (0.59) DYRK1ACLK2CLK3WNT1GSK3B
SCHEMBL23534293 0.83 DYRK1A (0.59) DYRK1ACLK2CLK3WNT1GSK3B
Hydrochloric Acid SCHEMBL23533915 0.83 DYRK1A (0.61) DYRK1ACLK2CLK3WNT1GSK3B
Hydrochloric Acid SCHEMBL29753926 0.83 DYRK1A (0.61) DYRK1ACLK2CLK3WNT1GSK3B
SCHEMBL29754049 0.80 DYRK1A (0.59) DYRK1ACLK2CLK3WNT1GSK3B
SCHEMBL28809179 0.80 DYRK1A (0.59) DYRK1ACLK2CLK3WNT1GSK3B
SCHEMBL28947523 0.78 DYRK1A (0.59) DYRK1ACLK2CLK3WNT1GSK3B

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
WO-2021125802-A1 NOVEL INDAZOLE DERIVATIVE, AND USE THEREOF 한국화학연구원 2021-06-24 WO claimed
WO-2021125802-A1 NOVEL INDAZOLE DERIVATIVE, AND USE THEREOF 한국화학연구원 2021-06-24 WO disclosed