SCHEMBL20122826

SCHEMBL20122826

CCc1cc(-c2cccnc2Cl)c2c(c1)c1ccncc1n2CC

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
RPS6KA5 O75582 1/20 0.39
ROCK2 O75116 6/20 0.39
KDM5A P29375 1/20 0.37
DHODH Q02127 1/20 0.37
LMNA P02545 1/20 0.36
CDC7 O00311 1/20 0.36
CDK2 P24941 1/20 0.36
METAP2 P50579 2/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HDAC2 Q92769 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL30664211 0.89 KDM4E (0.44) KDM4ERPS6KA5ROCK2KDM5ADHODH
SCHEMBL20122825 0.89 KDM4E (0.44) KDM4ERPS6KA5ROCK2KDM5ADHODH
SCHEMBL20122794 0.75 ROCK2 (0.41) ROCK2KDM5AMETAP2CYP1A2CYP2C9
SCHEMBL30664295 0.75 ROCK2 (0.41) ROCK2KDM5AMETAP2CYP1A2CYP2C9
SCHEMBL20122823 0.73 ROCK2 (0.38) RPS6KA5ROCK2KDM5AMETAP2CYP1A2
SCHEMBL29756290 0.73 ROCK2 (0.38) RPS6KA5ROCK2KDM5AMETAP2CYP1A2
SCHEMBL20122870 0.73 ROCK2 (0.43) ROCK2KDM5AMETAP2CYP1A2CYP2C9
SCHEMBL30664279 0.73 ROCK2 (0.43) ROCK2KDM5AMETAP2CYP1A2CYP2C9
SCHEMBL20123045 0.72 KDM4E (0.35) KDM4ELMNACYP1A2CYP2C9CYP2C19
SCHEMBL30664293 0.71 METAP2 (0.44) ROCK2KDM5AMETAP2CYP1A2

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-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