SCHEMBL20122724

SCHEMBL20122724

CCn1c2c(C)cc(Br)cc2c2ccnc(C)c21

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 9/20 0.50
HASPIN Q8TF76 8/20 0.38
ACHE P22303 1/20 0.38
MAOA P21397 1/20 0.38
AAK1 Q2M2I8 3/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
DYRK2 Q92630 3/20 0.37

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
SCHEMBL20122726 0.86 DYRK1A (0.48) DYRK1AHASPINACHEMAOAAAK1
SCHEMBL20122798 0.83 DYRK1A (0.50) DYRK1AHASPINACHEMAOAAAK1
SCHEMBL20122764 0.80 DYRK1A (0.50) DYRK1AHASPINACHEMAOAAAK1
SCHEMBL20122708 0.79 ADORA2A (0.33)
SCHEMBL20122700 0.78 DYRK1A (0.48) DYRK1AHASPINACHEMAOAAAK1
SCHEMBL20123032 0.77 DYRK1A (0.41) DYRK1AHASPINACHEMAOADYRK2
SCHEMBL21808613 0.77 DYRK1A (0.46) DYRK1AHASPINACHEMAOAAAK1
SCHEMBL29756325 0.77 DYRK1A (0.41) DYRK1AHASPINACHEMAOADYRK2
SCHEMBL23087087 0.76 DYRK1A (0.40) DYRK1AHASPINACHEMAOAHTR2C
SCHEMBL22474560 0.76 DYRK1A (0.40) DYRK1AHASPINACHEAAK1HTR2A

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
EP-3792262-A1 SUBSTITUTED PYRIDO[3,4-B]INDOLES FOR THE TREATMENT OF CARTILAGE DISORDERS SANOFI (FR) 2021-03-17 EP disclosed
EP-3535263-B1 SUBSTITUTED PYRIDO[3,4-B]INDOLES FOR THE TREATMENT OF CARTILAGE DISORDERS SANOFI SA (FR) 2020-09-30 EP disclosed
EP-3318563-A1 SUBSTITUTED PYRIDO[3,4-B]INDOLES FOR THE TREATMENT OF CARTILAGE DISORDERS SANOFI (FR) 2018-05-09 EP disclosed