SCHEMBL7339143

SCHEMBL7339143

C[C](C)CNC(=O)CNC(=O)c1cccc(NC(=N)N)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.48
GAA P10253 1/20 0.47
F10 P00742 2/20 0.46
PRSS1 P07477 1/20 0.46
PLK4 O00444 1/20 0.46
CHEK1 O14757 1/20 0.46
AURKA O14965 1/20 0.46
CHUK O15111 1/20 0.46
DAPK3 O43293 1/20 0.46
JAK2 O60674 1/20 0.46
ROCK2 O75116 1/20 0.46
PAK4 O96013 1/20 0.46
CHEK2 O96017 1/20 0.46
CDK1 P06493 1/20 0.46
PIM1 P11309 1/20 0.46
PRKACA P17612 1/20 0.46
FGFR3 P22607 1/20 0.46
RPS6KB1 P23443 1/20 0.46
CDK2 P24941 1/20 0.46
MARK3 P27448 1/20 0.46

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
SCHEMBL7372871 0.95 PLK4 (0.50) RXFP1GAAPLK4CHEK1AURKA
SCHEMBL26033646 0.88 PLK4 (0.49) RXFP1GAAPLK4CHEK1AURKA
SCHEMBL7340904 0.87 F10 (0.46) RXFP1GAAF10PRSS1PLK4
SCHEMBL23489334 0.86 F10 (0.51) RXFP1GAAF10PRSS1PLK4
SCHEMBL7343748 0.85 MEN1 (0.46) RXFP1GAAF10PRSS1PLK4
SCHEMBL27521075 0.84 RXFP1 (0.44) RXFP1GAAF10PRSS1PLK4
SCHEMBL6773153 0.84 ITGB3 (0.55) GAAF10PRSS1HTTL3MBTL1
SCHEMBL7343738 0.84 PLK4 (0.47) RXFP1GAAF10PRSS1PLK4
SCHEMBL6366986 0.84 PLA2G10 (0.47) PLK4CHEK1AURKACHUKDAPK3
Hydrochloric Acid SCHEMBL6773326 0.83 PLA2G10 (0.46) PLK4CHEK1AURKACHUKDAPK3

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
EP-0850221-A1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1998-07-01 EP claimed
WO-1997008145-A1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1997-03-06 WO claimed