SCHEMBL29756366

SCHEMBL29756366

CCn1c2c(-c3ccc(OCCBr)cc3)cc(Cl)cc2c2ccnc(C)c21

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 9/20 0.46
AAK1 Q2M2I8 3/20 0.36
HASPIN Q8TF76 5/20 0.36
DYRK2 Q92630 2/20 0.36
ACHE P22303 1/20 0.36
MAOA P21397 1/20 0.36
MGAM O43451 3/20 0.36
GAA P10253 3/20 0.36
SI P14410 3/20 0.36
MGAM2 Q2M2H8 3/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36

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
SCHEMBL20122716 1.00 DYRK1A (0.46) DYRK1AAAK1HASPINDYRK2ACHE
SCHEMBL20123007 0.87 DYRK1A (0.58) DYRK1AHASPINDYRK2ACHEMAOA
SCHEMBL30664315 0.87 DYRK1A (0.58) DYRK1AHASPINDYRK2ACHEMAOA
SCHEMBL20123023 0.86 DYRK1A (0.45) DYRK1AAAK1HASPINDYRK2ACHE
SCHEMBL29756351 0.86 DYRK1A (0.45) DYRK1AAAK1HASPINDYRK2ACHE
SCHEMBL29756445 0.85 DYRK1A (0.42) DYRK1AAAK1HASPINACHEHTR2A
SCHEMBL20122784 0.85 DYRK1A (0.42) DYRK1AAAK1HASPINACHEHTR2A
Hydrochloric Acid SCHEMBL29756375 0.85 DYRK1A (0.41) DYRK1AAAK1HASPINACHEHTR2A
SCHEMBL30664307 0.84 DYRK1A (0.47) DYRK1AAAK1HASPINDYRK2ACHE
SCHEMBL20123000 0.84 DYRK1A (0.47) DYRK1AAAK1HASPINDYRK2ACHE

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
CN-110382496-B Substituted pyrido [3,4-b ] indoles for the treatment of cartilage disorders 赛诺菲 2022-08-09 CN disclosed