SCHEMBL8797709

SCHEMBL8797709

Cc1nnc2n1-c1ccc(NC(=O)c3ccc(C(=N)N)cc3)cc1C(=O)N(CCC(=O)O)C2

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 19/20 0.72
ITGA2B P08514 19/20 0.72
ITGA2 P17301 2/20 0.44
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
RECQL P46063 1/20 0.41
F2 P00734 1/20 0.38
F10 P00742 1/20 0.38

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
SCHEMBL8798937 0.91 ITGB3 (0.73) ITGB3ITGA2BITGA2KDM4EALDH1A1
SCHEMBL8798139 0.90 ITGB3 (0.69) ITGB3ITGA2BITGA2F2F10
SCHEMBL8798242 0.90 ITGB3 (0.69) ITGB3ITGA2BITGA2KDM4EALDH1A1
SCHEMBL8798644 0.89 ITGB3 (0.58) ITGB3ITGA2BITGA2KDM4EALDH1A1
SCHEMBL8797347 0.88 ITGB3 (0.69) ITGB3ITGA2BITGA2KDM4EALDH1A1
SCHEMBL8797941 0.85 ITGB3 (0.70) ITGB3ITGA2BKDM4E
SCHEMBL8992929 0.85 ITGB3 (0.54) ITGB3ITGA2BKDM4EF2F10
SCHEMBL8992972 0.84 ITGB3 (1.00) ITGB3ITGA2BITGA2KDM4EALDH1A1
SCHEMBL7427864 0.83 ITGB3 (0.70) ITGB3ITGA2BITGA2KDM4EALDH1A1
SCHEMBL8797500 0.82 ITGB3 (0.66) ITGB3ITGA2BITGA2KDM4EALDH1A1

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