SCHEMBL20123046

SCHEMBL20123046

CCc1cc2c3c(n(CC)c2c(C)n1)=C(c1cnn(C)c1)C(C)C(Br)C=3

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.31

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
SCHEMBL20122977 0.86
SCHEMBL30664145 0.73 PDPK1 (0.36) PDPK1
SCHEMBL20123049 0.73 PDPK1 (0.36) PDPK1
SCHEMBL20122815 0.62 GRM2 (0.36)
SCHEMBL29756295 0.62 GRM2 (0.36)
SCHEMBL19539186 0.59 PDPK1 (0.43) PDPK1
SCHEMBL20122982 0.57 GRM2 (0.36) PDPK1
SCHEMBL30664160 0.57 GRM2 (0.36) PDPK1
SCHEMBL20123032 0.57 DYRK1A (0.41)
SCHEMBL29756325 0.57 DYRK1A (0.41)

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