SCHEMBL22474556

SCHEMBL22474556

CCn1c2c(C3=CN(C)NC3)cc(C)cc2c2ccnc(C)c21

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 9/20 0.41
HASPIN Q8TF76 8/20 0.35
DYRK2 Q92630 2/20 0.35
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
AAK1 Q2M2I8 3/20 0.33
ACHE P22303 1/20 0.32

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
SCHEMBL22474560 0.89 DYRK1A (0.40) DYRK1AHASPINDYRK2HTR2AHTR2C
SCHEMBL20122904 0.76 DYRK1A (0.42) DYRK1AHASPINDYRK2ACHE
SCHEMBL20122764 0.73 DYRK1A (0.50) DYRK1AHASPINDYRK2HTR2AHTR2C
SCHEMBL20122710 0.72 MEN1 (0.34) DYRK1A
SCHEMBL29756351 0.66 DYRK1A (0.45) DYRK1AHASPINDYRK2HTR2AHTR2C
SCHEMBL20123023 0.66 DYRK1A (0.45) DYRK1AHASPINDYRK2HTR2AHTR2C
SCHEMBL29756325 0.66 DYRK1A (0.41) DYRK1AHASPINDYRK2ACHE
SCHEMBL20122935 0.66 DYRK1A (0.41) DYRK1AHASPINDYRK2AAK1
SCHEMBL20123032 0.66 DYRK1A (0.41) DYRK1AHASPINDYRK2ACHE
SCHEMBL30664285 0.66 DYRK1A (0.41) DYRK1AHASPINDYRK2AAK1

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
EP-3535263-B1 SUBSTITUTED PYRIDO[3,4-B]INDOLES FOR THE TREATMENT OF CARTILAGE DISORDERS SANOFI SA (FR) 2020-09-30 EP disclosed