SCHEMBL30218031

SCHEMBL30218031

[2H]c1ccc2ncc(I)n2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.39
FLT3 P36888 1/20 0.34
CHEK1 O14757 1/20 0.33
MAP4K4 O95819 1/20 0.33
CSF1R P07333 1/20 0.33
PRKACA P17612 1/20 0.33
KDR P35968 1/20 0.33
CDK8 P49336 1/20 0.33
MAP2K1 Q02750 1/20 0.33
ACVR1 Q04771 1/20 0.33
MAP4K2 Q12851 1/20 0.33
ROCK1 Q13464 1/20 0.33
DYRK1A Q13627 1/20 0.33
AURKB Q96GD4 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
MIF P14174 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
EPHB3 P54753 1/20 0.31
PKM P14618 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL504102 0.82 NPSR1 (0.50) NPSR1FLT3DYRK1AMIFADORA3
SCHEMBL30359488 0.77 NPSR1 (0.39) NPSR1FLT3CHEK1MAP4K4CSF1R
SCHEMBL21623709 0.65 PRMT5 (0.32) GAA
SCHEMBL18324191 0.65 CDK8 (0.53) NPSR1FLT3CHEK1MAP4K4CSF1R
SCHEMBL380169 0.65 KDR (0.35) FLT3KDRPKMKDM4EALDH1A1
SCHEMBL10138747 0.65 KDM4E (0.51) FLT3PKMKDM4EALDH1A1GLA
SCHEMBL557273 0.65 KDR (0.41) FLT3CSF1RKDRDYRK1ADYRK1B
SCHEMBL21591164 0.65 FLT3 (0.40) FLT3KDRPKMKDM4EALDH1A1
SCHEMBL10174940 0.65 KDR (0.47) FLT3KDR
SCHEMBL3325146 0.63 POLB (0.51) FLT3NPC1RAB9A

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
WO-2023025244-A1 SARM1 ENZYME ACTIVITY INHIBITOR AND APPLICATION THEREOF 科辉智药生物科技(深圳)有限公司 2023-03-02 WO disclosed