SCHEMBL20123045

SCHEMBL20123045

CCc1cc(-c2cccnc2Cl)c2c(c1)c1ccnc(C)c1n2CC1CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.35
DYRK1A Q13627 4/20 0.34
LMNA P02545 1/20 0.34
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
GRM2 Q14416 1/20 0.33
BCL6 P41182 2/20 0.32
HASPIN Q8TF76 1/20 0.31
DYRK2 Q92630 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ACHE P22303 1/20 0.31
MDM2 Q00987 1/20 0.31
CRHR1 P34998 2/20 0.31
CRHR2 Q13324 1/20 0.31
MAPT P10636 1/20 0.31
PTGER4 P35408 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL30664241 0.89 BCL6 (0.35) KDM4EDYRK1ALMNAHDAC1HDAC6
SCHEMBL20123041 0.89 BCL6 (0.35) KDM4EDYRK1ALMNAHDAC1HDAC6
SCHEMBL29756577 0.77 BCL6 (0.37) DYRK1AHDAC1HDAC6GRM2BCL6
SCHEMBL30664269 0.77 KDM4E (0.45) KDM4EDYRK1ALMNAHASPINDYRK2
SCHEMBL20122947 0.77 KDM4E (0.45) KDM4EDYRK1ALMNAHASPINDYRK2
SCHEMBL20123079 0.76 HDAC1 (0.35) DYRK1AHDAC1HDAC6HASPINDYRK2
SCHEMBL30664229 0.76 HDAC1 (0.35) DYRK1AHDAC1HDAC6HASPINDYRK2
SCHEMBL30664207 0.73 CRHR1 (0.42) CRHR1
SCHEMBL20122950 0.73 CRHR1 (0.42) CRHR1
SCHEMBL20123072 0.72 CRHR1 (0.38) KDM4EDYRK1AHDAC1HDAC6CRHR1

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