SCHEMBL20122886

SCHEMBL20122886

Cc1ccc(-c2cc(Cl)cc3c4ccncc4n(CC4CC4)c23)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 4/20 0.46
KCNH2 Q12809 3/20 0.46
PTGER4 P35408 3/20 0.42
ROCK2 O75116 1/20 0.40
NFATC1 O95644 1/20 0.40
GSK3B P49841 1/20 0.40
CRHR1 P34998 2/20 0.38
MAPK13 O15264 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37
MAPK14 Q16539 1/20 0.37
METAP2 P50579 1/20 0.37
KDM4C Q9H3R0 2/20 0.36
SLC34A1 Q06495 3/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
ALOX5 P09917 1/20 0.33
OPRM1 P35372 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
SCHEMBL30664200 0.92 KCNH2 (0.49) DYRK1AKCNH2PTGER4ROCK2NFATC1
SCHEMBL20122885 0.92 KCNH2 (0.49) DYRK1AKCNH2PTGER4ROCK2NFATC1
SCHEMBL30664155 0.86 ROCK2 (0.45) DYRK1AKCNH2PTGER4ROCK2NFATC1
SCHEMBL20122876 0.86 ROCK2 (0.45) DYRK1AKCNH2PTGER4ROCK2NFATC1
SCHEMBL20122914 0.85 ROCK2 (0.39) DYRK1AKCNH2PTGER4ROCK2NFATC1
SCHEMBL30664289 0.85 ROCK2 (0.39) DYRK1AKCNH2PTGER4ROCK2NFATC1
SCHEMBL30664172 0.85 DYRK1A (0.45) DYRK1AKCNH2PTGER4ROCK2NFATC1
SCHEMBL20123075 0.85 DYRK1A (0.45) DYRK1AKCNH2PTGER4ROCK2NFATC1
SCHEMBL30664277 0.82 KCNH2 (0.39) DYRK1AKCNH2PTGER4ROCK2NFATC1
SCHEMBL20123069 0.82 KCNH2 (0.39) DYRK1AKCNH2PTGER4ROCK2NFATC1

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