SCHEMBL20122708

SCHEMBL20122708

CCn1c2c(C)cc(Br)cc2c2cc(C)nc(C)c21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.33
ADORA2B P29275 2/20 0.33
RXFP1 Q9HBX9 3/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
PPARG P37231 1/20 0.30
KMT2A Q03164 1/20 0.30
NCOA2 Q15596 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL20122706 0.85 ADORA2A (0.31) ADORA2AADORA2BRXFP1KDM4EALDH1A1
SCHEMBL20122724 0.79 DYRK1A (0.50)
SCHEMBL29756295 0.76 GRM2 (0.36) MAPT
SCHEMBL20122815 0.76 GRM2 (0.36) MAPT
SCHEMBL11668667 0.69 GFER (0.35) ADORA2AADORA2BRXFP1MEN1MAPT
SCHEMBL30996776 0.69 GFER (0.35) ADORA2AADORA2BRXFP1MEN1MAPT
SCHEMBL24237821 0.67 ABCB1 (0.38) KDM4EALDH1A1HPGDKMT2ACYP1A2
SCHEMBL20122726 0.66 DYRK1A (0.48)
SCHEMBL30664160 0.65 GRM2 (0.36) MAPT
SCHEMBL20122728 0.65 DYRK1A (0.44) KDM4EALDH1A1HTTMEN1MAPT

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