SCHEMBL31456247

SCHEMBL31456247

Nc1nc(NCc2ccc3c(c2)OCO3)cc(-c2ccc3c(c2)OCO3)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.57
ADORA2A P29274 2/20 0.57
ADORA1 P30542 2/20 0.57
CLK4 Q9HAZ1 17/20 0.56
DYRK1A Q13627 13/20 0.56
CLK1 P49759 3/20 0.51
CLK2 P49760 2/20 0.51
CLK3 P49761 2/20 0.51
DYRK1B Q9Y463 2/20 0.51
TP53 P04637 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2C19 P33261 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP2C9 P11712 1/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50

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
SCHEMBL31456205 0.91 ADORA1 (0.62) ADORA3ADORA2AADORA1CLK4DYRK1A
SCHEMBL31456192 0.89 ADORA2A (0.57) ADORA3ADORA2AADORA1CLK4DYRK1A
SCHEMBL22533767 0.88 BRAF (0.50) ADORA3ADORA2AADORA1CLK4DYRK1A
SCHEMBL16711110 0.88 HRH4 (0.48) ADORA3ADORA2AADORA1CLK4DYRK1A
SCHEMBL29549565 0.88 BRAF (0.50) ADORA3ADORA2AADORA1CLK4DYRK1A
SCHEMBL24453866 0.88 FYN (0.49) ADORA3ADORA2AADORA1CLK4DYRK1A
Hydrochloric Acid SCHEMBL30197739 0.87 TP53 (0.49) ADORA3ADORA2AADORA1CLK4DYRK1A
SCHEMBL24454337 0.86 DYRK1A (0.51) CLK4DYRK1ATP53SMN1; SMN2KDM4E
SCHEMBL22541071 0.85 SMN1; SMN2 (0.49) ADORA3ADORA2AADORA1CLK4DYRK1A
SCHEMBL31456150 0.85 HPGD (0.48) ADORA3ADORA2AADORA1CLK4DYRK1A

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
CN-119528887-A Compounds for promoting degradation of tubulin and application thereof 四川大学华西医院 2025-02-28 CN disclosed