SCHEMBL20122710

SCHEMBL20122710

CCn1c2c(C3=CN(Cc4cccnc4)NC3)cc(Br)cc2c2ccnc(C)c21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
PKM P14618 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
DYRK1A Q13627 3/20 0.33
GABRA1 P14867 2/20 0.33
GABRA5 P31644 2/20 0.33
MAOA P21397 1/20 0.32
BRD4 O60885 1/20 0.32
THRB P10828 1/20 0.31
TLR9 Q9NR96 1/20 0.30
TLR8 Q9NR97 1/20 0.30
TLR7 Q9NYK1 1/20 0.30
CCNT1 O60563 1/20 0.30
CDK9 P50750 1/20 0.30
CYP1B1 Q16678 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
SCHEMBL22474560 0.82 DYRK1A (0.40) DYRK1A
SCHEMBL20122709 0.78 L3MBTL1 (0.40) MEN1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL29756293 0.78 L3MBTL1 (0.40) MEN1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL22474556 0.72 DYRK1A (0.41) DYRK1A
SCHEMBL20122925 0.70 DYRK1B (0.46) DYRK1A
SCHEMBL30664251 0.70 DYRK1B (0.46) DYRK1A
SCHEMBL21808613 0.69 DYRK1A (0.46) DYRK1AMAOA
SCHEMBL20123032 0.69 DYRK1A (0.41) DYRK1AMAOA
SCHEMBL29756325 0.69 DYRK1A (0.41) DYRK1AMAOA
SCHEMBL20122724 0.68 DYRK1A (0.50) DYRK1AMAOA

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