SCHEMBL8328475

SCHEMBL8328475

Cc1ccc2[nH]c(CNC(=O)OCc3ccccc3)nc2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 2/20 0.46
TNKS2 Q9H2K2 2/20 0.46
MAPK1 P28482 2/20 0.45
ITGB3 P05106 3/20 0.45
ITGAV P06756 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
PLAU P00749 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL13465239 0.83 HCAR2 (0.49) TNKSTNKS2MAPK1SMN1; SMN2LMNA
SCHEMBL6945050 0.79 ITGB3 (0.47) MAPK1ITGB3ITGAVALDH1A1MAPT
SCHEMBL1624031 0.76 TNKS (0.50) TNKSTNKS2SMN1; SMN2LMNAPLAU
SCHEMBL23508126 0.76 AAK1 (0.49) TNKSTNKS2MAPK1ITGB3ITGAV
SCHEMBL3257381 0.75 TNKS (0.52) TNKSTNKS2LMNAALDH1A1MAPT
SCHEMBL13933317 0.75 RAB9A (0.50) TNKSTNKS2MAPK1SMN1; SMN2LMNA
SCHEMBL3825080 0.75 RAB9A (0.47) TNKSTNKS2MAPK1SMN1; SMN2LMNA
SCHEMBL23508272 0.75 TNKS (0.46) TNKSTNKS2MAPK1ITGB3ITGAV
SCHEMBL4887144 0.75 RIPK1 (0.47) TNKSTNKS2MAPK1SMN1; SMN2LMNA
SCHEMBL30103173 0.74 AAK1 (0.59) TNKSTNKS2MAPK1ITGB3ITGAV

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0869787-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 1999-03-24 EP disclosed
EP-0869787-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-10-14 EP disclosed
WO-1997024119-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-10 WO disclosed