SCHEMBL4696679

SCHEMBL4696679

Fc1cccc(-c2cnc3ccc(NCCCN4CCOCC4)nn23)c1

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 7/20 0.67
FYN P06241 8/20 0.54
MKNK1 Q9BUB5 1/20 0.53
NTRK1 P04629 3/20 0.49
NTRK3 Q16288 3/20 0.49
NTRK2 Q16620 3/20 0.49
CAMK2D Q13557 1/20 0.48

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
SCHEMBL4695075 0.90 PIM1 (0.65) PIM1FYNMKNK1CAMK2D
SCHEMBL3642279 0.89 PIM1 (0.64) PIM1FYN
SCHEMBL3648939 0.88 PIM1 (0.62) PIM1FYNMKNK1
Hydrochloric Acid SCHEMBL3452909 0.87 PIM1 (0.61) PIM1FYNMKNK1
SCHEMBL4695486 0.85 FYN (0.72) PIM1FYNCAMK2D
SCHEMBL1054955 0.85 PIM1 (0.62) PIM1FYNMKNK1
SCHEMBL13234249 0.84 FYN (0.70) PIM1FYN
SCHEMBL178294 0.83 PIM1 (0.73) PIM1FYNMKNK1CAMK2D
SCHEMBL4692325 0.83 FYN (0.58) PIM1FYNMKNK1
SCHEMBL4695518 0.82 MKNK1 (0.64) PIM1FYNMKNK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1900739-A1 Diazolodiazine derivatives as kinase inhibitors CELLZOME AG (DE) 2008-03-19 EP claimed
WO-2008025822-A1 DIAZOLODIAZINE DERIVATIVES AS KINASE INHIBITORS CELLZOME LIMITED (GB) 2008-03-06 WO claimed
EP-1900739-A1 Diazolodiazine derivatives as kinase inhibitors CELLZOME AG (DE) 2008-03-19 EP disclosed
WO-2008025822-A1 DIAZOLODIAZINE DERIVATIVES AS KINASE INHIBITORS CELLZOME LIMITED (GB) 2008-03-06 WO disclosed