SCHEMBL6201274

SCHEMBL6201274

Oc1c(Cl)ccc(CNc2ncc3[nH]nnc3n2)c1O

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 2/20 0.34
CLK2 P49760 2/20 0.34
DYRK1A Q13627 2/20 0.34
CLK4 Q9HAZ1 2/20 0.34
DYRK1B Q9Y463 2/20 0.34
CLK3 P49761 1/20 0.32
ATM Q13315 1/20 0.32
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
MEN1 O00255 2/20 0.31
GFER P55789 2/20 0.31
KMT2A Q03164 2/20 0.31
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
HIF1A Q16665 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
SCHEMBL6201267 0.84 ATM (0.33) CLK1CLK2DYRK1ACLK4DYRK1B
SCHEMBL3445563 0.71 CDK2 (0.39)
SCHEMBL6202545 0.71 HDAC3 (0.36) HDAC3HDAC1HDAC2HDAC6MEN1
SCHEMBL3443976 0.70 BCDIN3D (0.35)
SCHEMBL3445287 0.69 CDK1 (0.42) CLK1DYRK1AMEN1KMT2AMAPT
SCHEMBL3445215 0.69 CDK2 (0.43) CLK1CLK2DYRK1ACLK4DYRK1B
SCHEMBL3444296 0.68 CDK2 (0.42)
SCHEMBL5242679 0.66 CDK2 (0.32)
SCHEMBL3445561 0.65 CDK2 (0.44)
SCHEMBL6204134 0.64 CCR4 (0.30)

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-1539760-A2 AZAPURINE DERIVATIVES INSTITUTE OF EXPERIMENTAL BOTANY ASCR (CZ) 2005-06-15 EP claimed
WO-2004018473-A2 AZAPURINE DERIVATIVES INSTITUTE OF EXPERIMENTAL BOTANY ASCR (CZ) 2004-03-04 WO claimed