SCHEMBL30508312

SCHEMBL30508312

Nc1n[nH]c2ncc(Br)cc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 8/20 0.55
DYRK1B Q9Y463 7/20 0.55
JAK2 O60674 5/20 0.55
AURKA O14965 3/20 0.55
MAP4K4 O95819 3/20 0.55
FGFR1 P11362 3/20 0.55
FLT1 P17948 3/20 0.55
KDR P35968 3/20 0.55
CLK2 P49760 3/20 0.55
CDK5 Q00535 3/20 0.55
MAP4K2 Q12851 3/20 0.55
AURKB Q96GD4 3/20 0.55
CLK4 Q9HAZ1 3/20 0.55
RET P07949 3/20 0.55
LRRK2 Q5S007 3/20 0.55
DAPK3 O43293 2/20 0.55
PAK4 O96013 2/20 0.55
ABL1 P00519 2/20 0.55
PDGFRA P16234 2/20 0.55
LTK P29376 2/20 0.55

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
SCHEMBL1585071 1.00 DYRK1A (0.55) DYRK1ADYRK1BJAK2AURKAMAP4K4
SCHEMBL1585882 0.78 DYRK1B (0.44) DYRK1ADYRK1BJAK2AURKAMAP4K4
SCHEMBL16537147 0.78 DYRK1B (0.44) DYRK1ADYRK1BJAK2AURKAMAP4K4
SCHEMBL1144888 0.78 DYRK1B (0.44) DYRK1ADYRK1BJAK2AURKAMAP4K4
SCHEMBL1592867 0.78 DYRK1B (0.44) DYRK1ADYRK1BJAK2AURKAMAP4K4
SCHEMBL1585981 0.78 DYRK1A (0.45) DYRK1ADYRK1BJAK2AURKAMAP4K4
SCHEMBL3373929 0.77 DYRK1B (0.43) DYRK1ADYRK1BJAK2AURKAMAP4K4
SCHEMBL12466822 0.76 IDO1 (0.46) DYRK1ADYRK1BJAK2AURKAMAP4K4
SCHEMBL30440210 0.76 RET (0.38) DYRK1AJAK2RETLRRK2PDPK1
SCHEMBL22582281 0.76 IDO1 (0.46) DYRK1AJAK2KDRRETLRRK2

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
CN-116478145-B ALK2 kinase inhibitors 杭州邦顺制药有限公司 2024-02-02 CN disclosed
CN-116478145-A ALK2 kinase inhibitors 杭州邦顺制药有限公司 2023-07-25 CN disclosed