SCHEMBL28406676

SCHEMBL28406676

[CH2]Cn1nc(I)c2c(N)ncnc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 8/20 0.50
▸ DYRK3 O43781 3/20 0.50
▸ RPS6KB1 P23443 3/20 0.50
▸ CSNK1A1 P48729 3/20 0.50
▸ CSNK1D P48730 3/20 0.50
▸ CLK2 P49760 3/20 0.50
▸ IRAK1 P51617 3/20 0.50
▸ DYRK1A Q13627 3/20 0.50
▸ SLK Q9H2G2 3/20 0.50
▸ CLK4 Q9HAZ1 3/20 0.50
▸ MAPK1 P28482 3/20 0.50
▸ CDK1 P06493 2/20 0.50
▸ ROS1 P08922 2/20 0.50
▸ CDK2 P24941 2/20 0.50
▸ CDK5 Q00535 2/20 0.50
▸ NTRK3 Q16288 2/20 0.50
▸ JAK2 O60674 2/20 0.50
▸ PRKD3 O94806 2/20 0.50
▸ MAP4K4 O95819 2/20 0.50
▸ PRKACA P17612 2/20 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
SCHEMBL23063891 0.84 SRC (0.46) ADKDYRK3RPS6KB1CSNK1A1CSNK1D
SCHEMBL868744 0.83 PIK3CD (0.51) ADKDYRK3RPS6KB1CSNK1A1CSNK1D
SCHEMBL24096485 0.83 PIK3CG (0.54) ADKDYRK3RPS6KB1CSNK1A1CSNK1D
SCHEMBL16701523 0.82 ADK (0.49) ADKDYRK3RPS6KB1CSNK1A1CSNK1D
SCHEMBL868521 0.81 DYRK3 (0.51) ADKDYRK3RPS6KB1CSNK1A1CSNK1D
SCHEMBL4572201 0.81 RET (0.48) ADKDYRK3RPS6KB1CSNK1A1CSNK1D
SCHEMBL18250087 0.80 DYRK3 (0.47) ADKDYRK3RPS6KB1CSNK1A1CSNK1D
SCHEMBL17936088 0.80 MAPK1 (0.47) ADKDYRK3RPS6KB1CSNK1A1CSNK1D
SCHEMBL17962785 0.80 FYN (0.49) ADKDYRK3RPS6KB1CSNK1A1CSNK1D
SCHEMBL21950482 0.80 MAPK1 (0.60) ADKDYRK3RPS6KB1CSNK1A1CSNK1D

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-107344940-B BTK inhibitors and uses thereof 广东东阳光药业有限公司 2020-04-21 — — CN disclosed
Send feedback