SCHEMBL8798644

SCHEMBL8798644

Cc1nnc2n1-c1ccc(NC(=O)c3cc(C(=N)N)ccn3)cc1C(=O)N(CCC(=O)O)C2

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 15/20 0.58
ITGA2B P08514 15/20 0.58
ITGA2 P17301 2/20 0.38
GRM4 Q14833 2/20 0.34
MAPT P10636 1/20 0.33
PLAU P00749 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
RECQL P46063 1/20 0.33

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
SCHEMBL8797589 0.92 ITGB3 (0.59) ITGB3ITGA2BITGA2GRM4MAPT
SCHEMBL8798269 0.90 ITGB3 (0.56) ITGB3ITGA2BITGA2GRM4KDM4E
SCHEMBL8797895 0.90 ITGB3 (0.56) ITGB3ITGA2BITGA2GRM4MAPT
SCHEMBL8798194 0.89 ITGB3 (0.56) ITGB3ITGA2BITGA2GRM4MAPT
SCHEMBL8797709 0.89 ITGB3 (0.72) ITGB3ITGA2BITGA2KDM4EALDH1A1
SCHEMBL8798130 0.85 ITGB3 (0.80) ITGB3ITGA2BITGA2GRM4ALDH1A1
SCHEMBL8798079 0.84 ITGB3 (0.54) ITGB3ITGA2BITGA2GRM4KDM4E
SCHEMBL8798937 0.80 ITGB3 (0.73) ITGB3ITGA2BITGA2KDM4EALDH1A1
SCHEMBL8798242 0.79 ITGB3 (0.69) ITGB3ITGA2BITGA2MAPTKDM4E
SCHEMBL8798139 0.79 ITGB3 (0.69) ITGB3ITGA2BITGA2

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-0708775-B1 TRICYCLIC INHIBITORS OF THE GPII b III a RECEPTOR GENENTECH INC (US) 1997-05-28 EP claimed
EP-0708775-B1 TRICYCLIC INHIBITORS OF THE GPII b III a RECEPTOR GENENTECH INC (US) 1997-05-28 EP disclosed
US-5493020-A ANTICOAGULANTS GENENTECH, INC. (US) 1996-02-20 US disclosed