SCHEMBL20122728

SCHEMBL20122728

Cc1cc2c([nH]c3c(C)cc(Br)cc32)c(C)n1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.44
GSK3B P49841 1/20 0.38
KDM4E B2RXH2 3/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
ADORA1 P30542 1/20 0.33
MAPT P10636 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
PARP4 Q9UKK3 2/20 0.32
PARP1 P09874 1/20 0.32
PARP2 Q9UGN5 1/20 0.32
NQO2 P16083 1/20 0.31

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
SCHEMBL20122727 0.83 DYRK1A (0.46) DYRK1AKDM4ELMNAHTT
SCHEMBL20122843 0.77 MAOA (0.49) DYRK1AGSK3BKDM4EMEN1ALDH1A1
SCHEMBL21326106 0.77 DYRK1A (0.52) DYRK1AKDM4EALDH1A1MAPTLMNA
SCHEMBL20122824 0.73 DYRK1A (0.55) DYRK1AGSK3BKDM4EMEN1ALDH1A1
SCHEMBL30664158 0.73 DYRK1A (0.55) DYRK1AGSK3BKDM4EMEN1ALDH1A1
SCHEMBL1144415 0.68 ADORA2A (0.46) DYRK1AGSK3BMAPTNQO2
SCHEMBL5674822 0.68 AHR (0.48) GSK3BKDM4EALDH1A1MAPTLMNA
SCHEMBL4418164 0.67 PDK2 (0.46) GSK3BMAPT
SCHEMBL31188776 0.67 KIF11 (0.59) KDM4EMEN1ALDH1A1KMT2AMAPT
SCHEMBL10169901 0.67 DYRK1A (0.60) DYRK1AKDM4EMEN1ALDH1A1KMT2A

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