SCHEMBL3467929

SCHEMBL3467929

OCCN1CCN(c2nccn3c(-c4cccc(Cl)c4)cnc23)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK3 O43781 1/20 0.57
CCNT1 O60563 1/20 0.57
CDK9 P50750 1/20 0.57
DYRK1A Q13627 1/20 0.57
DYRK2 Q92630 1/20 0.57
DYRK1B Q9Y463 1/20 0.57
FLT3 P36888 6/20 0.51
TP53 P04637 2/20 0.48
LMNA P02545 1/20 0.48
BACE1 P56817 1/20 0.44
KMT2A Q03164 2/20 0.42
CYP2D6 P10635 1/20 0.42
HPGD P15428 1/20 0.42
MAP3K9 P80192 1/20 0.42
MAP3K11 Q16584 1/20 0.42
KDM4E B2RXH2 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL3469600 0.75 PDE5A (0.46) FLT3LMNAKMT2ACYP2D6HPGD
SCHEMBL3467072 0.71 PDE5A (0.59)
SCHEMBL5408046 0.71 BACE1 (0.53) DYRK3CCNT1CDK9DYRK1ADYRK2
SCHEMBL3466485 0.69 GRIA1 (0.60)
SCHEMBL3466582 0.69 KDM4E (0.48) TP53LMNAKMT2AKDM4ESMN1; SMN2
SCHEMBL3467008 0.69 FLT3 (0.48) DYRK1AFLT3
SCHEMBL5408049 0.69 BACE1 (0.53) DYRK3CCNT1CDK9DYRK1ADYRK2
SCHEMBL2403634 0.68 HRH4 (0.54) FLT3TP53MAPT
SCHEMBL12272910 0.68 FLT3 (1.00) FLT3
SCHEMBL7289093 0.67 KCNH2 (0.74)

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
WO-2010069684-A1 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA, LTD. (BS) 2010-06-24 WO claimed
WO-2010069684-A1 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA, LTD. (BS) 2010-06-24 WO disclosed