SCHEMBL20122975

SCHEMBL20122975

CCn1c2c(-c3cnn(CC4C=CC=CC4C)c3)cc(Cl)cc2c2ccnc(C)c21

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.34
HASPIN Q8TF76 1/20 0.31
DYRK2 Q92630 1/20 0.31
AAK1 Q2M2I8 2/20 0.30
LRRK2 Q5S007 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
SCHEMBL20122923 0.90 DYRK1A (0.34) DYRK1ALRRK2
SCHEMBL30664271 0.84 PRPS1 (0.43) DYRK1AHASPINDYRK2AAK1LRRK2
SCHEMBL20122882 0.84 PRPS1 (0.43) DYRK1AHASPINDYRK2AAK1LRRK2
SCHEMBL20122758 0.82 PDK2 (0.42) DYRK1AHASPINDYRK2
SCHEMBL30664313 0.81 CREBBP (0.43) DYRK1A
SCHEMBL20122973 0.81 CREBBP (0.43) DYRK1A
SCHEMBL30664285 0.80 DYRK1A (0.41) DYRK1AHASPINDYRK2AAK1LRRK2
SCHEMBL20122935 0.80 DYRK1A (0.41) DYRK1AHASPINDYRK2AAK1LRRK2
SCHEMBL20123058 0.80 DYRK1A (0.36) DYRK1AHASPINDYRK2AAK1LRRK2
SCHEMBL20122990 0.79 CREBBP (0.42) DYRK1A

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