SCHEMBL31456205

SCHEMBL31456205

Nc1nc(NCc2ccc3c(c2)OCO3)cc(-c2ccc(-c3ccccc3)cc2)n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 3/20 0.62
ADORA2A P29274 2/20 0.62
ADORA3 P0DMS8 1/20 0.62
HRH4 Q9H3N8 5/20 0.54
MAPT P10636 3/20 0.50
DYRK1A Q13627 3/20 0.50
CLK4 Q9HAZ1 3/20 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
TP53 P04637 1/20 0.50
TSHR P16473 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
GALR2 O43603 1/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
CYP2C9 P11712 1/20 0.49

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
SCHEMBL31456192 0.94 ADORA2A (0.57) ADORA1ADORA2AADORA3HRH4MAPT
SCHEMBL31456247 0.91 ADORA3 (0.57) ADORA1ADORA2AADORA3MAPTDYRK1A
SCHEMBL22533767 0.86 BRAF (0.50) ADORA1ADORA2AADORA3HRH4MAPT
SCHEMBL16711110 0.86 HRH4 (0.48) ADORA1ADORA2AADORA3HRH4DYRK1A
SCHEMBL29549565 0.86 BRAF (0.50) ADORA1ADORA2AADORA3HRH4MAPT
Hydrochloric Acid SCHEMBL30197739 0.85 TP53 (0.49) ADORA1ADORA2AADORA3HRH4MAPT
SCHEMBL31456150 0.83 HPGD (0.48) ADORA1ADORA2AADORA3MAPTDYRK1A
SCHEMBL22541071 0.83 SMN1; SMN2 (0.49) ADORA1ADORA2AADORA3MAPTDYRK1A
SCHEMBL29379328 0.83 PTGDR (0.56) ADORA1ADORA2AADORA3MAPTDYRK1A
SCHEMBL430891 0.83 PTGDR (0.56) ADORA1ADORA2AADORA3MAPTDYRK1A

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