SCHEMBL7939003

SCHEMBL7939003

c1nc(C2CNCCO2)c2nc(C3CNCCO3)nc(C3CNCCO3)c2n1

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34

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
SCHEMBL7937573 0.88 DRD2 (0.37) DRD2DRD3
SCHEMBL7930899 0.85
SCHEMBL7939851 0.77 DRD2 (0.33) DRD2DRD3
SCHEMBL28679348 0.75 DRD2 (0.43) DRD2DRD3
SCHEMBL3653344 0.72 PI4KA (0.38) DRD2DRD3
SCHEMBL29078936 0.72 CHEK1 (0.36)
SCHEMBL7939928 0.72
SCHEMBL7942550 0.71 SLC6A3 (0.38)
SCHEMBL28170128 0.71 DRD2 (0.37) DRD2DRD3
SCHEMBL27499219 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6232312-B1 ADMINISTERING A COMBINATION OF INDENE AND PYRIMIDO(5,4-D)PYRIMIDINE DERIVATIVES TO TREAT PREPANCREATIC CANCER CELL PATHWAYS, INC. 2001-05-15 US disclosed