SCHEMBL29756293

SCHEMBL29756293

CCn1c2c(-c3cnn(Cc4cccnc4)c3)cc(Br)cc2c2ccnc(C)c21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.40
DYRK1B Q9Y463 1/20 0.38
KDM5B Q9UGL1 1/20 0.36
CREBBP Q92793 6/20 0.35
ABL1 P00519 1/20 0.35
BCR P11274 1/20 0.35
DYRK1A Q13627 2/20 0.35
GABRA1 P14867 1/20 0.34
GABRA5 P31644 1/20 0.34
KLKB1 P03952 1/20 0.34
ALK Q9UM73 2/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
PKM P14618 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
CCNK O75909 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
SCHEMBL20122709 1.00 L3MBTL1 (0.40) L3MBTL1DYRK1BKDM5BCREBBPABL1
SCHEMBL20122925 0.92 DYRK1B (0.46) L3MBTL1DYRK1BCREBBPDYRK1AALK
SCHEMBL30664251 0.92 DYRK1B (0.46) L3MBTL1DYRK1BCREBBPDYRK1AALK
SCHEMBL29756420 0.89 L3MBTL1 (0.42) L3MBTL1KDM5BCREBBPABL1BCR
SCHEMBL20122987 0.89 L3MBTL1 (0.42) L3MBTL1KDM5BCREBBPABL1BCR
SCHEMBL30664263 0.85 CREBBP (0.42) DYRK1BKDM5BCREBBPDYRK1AGABRA1
SCHEMBL20122909 0.85 CREBBP (0.42) DYRK1BKDM5BCREBBPDYRK1AGABRA1
SCHEMBL20122973 0.81 CREBBP (0.43) L3MBTL1CREBBPDYRK1AALK
SCHEMBL30664313 0.81 CREBBP (0.43) L3MBTL1CREBBPDYRK1AALK
SCHEMBL20122718 0.81 BRD4 (0.34) DYRK1BCREBBPDYRK1APKMBRD4

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