SCHEMBL7347252

SCHEMBL7347252

CC1=CC(C)(NC(=O)CNC(=O)c2cccc(NC(=N)N)c2)CC(CCC(=O)O)=C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.38
ITGA2B P08514 5/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 1/20 0.36
PLK4 O00444 1/20 0.35
CHEK1 O14757 1/20 0.35
AURKA O14965 1/20 0.35
CHUK O15111 1/20 0.35
DAPK3 O43293 1/20 0.35
JAK2 O60674 1/20 0.35
ROCK2 O75116 1/20 0.35
PAK4 O96013 1/20 0.35
CHEK2 O96017 1/20 0.35
CDK1 P06493 1/20 0.35
PIM1 P11309 1/20 0.35
PRKACA P17612 1/20 0.35
FGFR3 P22607 1/20 0.35
RPS6KB1 P23443 1/20 0.35
CDK2 P24941 1/20 0.35
MARK3 P27448 1/20 0.35

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
SCHEMBL7347263 0.88 ITGB3 (0.34) ITGB3ITGA2BSMN1; SMN2GAAITGAV
SCHEMBL7348225 0.82 ITGB3 (0.38) ITGB3ITGA2BSMN1; SMN2GAAPLK4
SCHEMBL7340934 0.81 ITGB3 (0.37) ITGB3ITGA2BSMN1; SMN2GAAPLK4
SCHEMBL7348823 0.81 ITGB3 (0.37) ITGB3ITGA2BSMN1; SMN2GAAPLK4
SCHEMBL7341068 0.79 ITGB3 (0.36) ITGB3ITGA2BSMN1; SMN2GAAPLK4
SCHEMBL7341117 0.79 ITGB3 (0.39) ITGB3ITGA2BSMN1; SMN2GAAITGAV
SCHEMBL7348597 0.77 ITGB3 (0.38) ITGB3ITGA2BSMN1; SMN2GAAITGAV
SCHEMBL7347586 0.77 ITGB3 (0.36) ITGB3ITGA2BSMN1; SMN2GAAPLK4
SCHEMBL7342053 0.75 ITGB3 (0.36) ITGB3ITGA2BSMN1; SMN2ITGAVITGB1
SCHEMBL7346500 0.74 ITGB3 (0.60) ITGB3ITGA2BSMN1; SMN2GAAITGAV

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