SCHEMBL4691093

SCHEMBL4691093

CC(=O)c1cccc(-c2cnc3ccc(NCc4ccc(F)cc4)nn23)c1

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FYN P06241 13/20 0.71
PIM1 P11309 4/20 0.67
PIM2 Q9P1W9 1/20 0.67
NTRK1 P04629 3/20 0.58
NTRK3 Q16288 3/20 0.58
NTRK2 Q16620 3/20 0.58

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
SCHEMBL2951889 0.90 FYN (0.63) FYNPIM1PIM2NTRK1NTRK3
SCHEMBL13234258 0.89 FYN (0.74) FYNPIM1PIM2NTRK1NTRK3
SCHEMBL2950800 0.89 FYN (0.71) FYNPIM1
SCHEMBL2951116 0.87 FYN (0.67) FYNPIM1PIM2NTRK1NTRK3
SCHEMBL4694754 0.85 FYN (0.66) FYN
SCHEMBL2942616 0.85 PIM1 (0.76) FYNPIM1NTRK1NTRK3NTRK2
SCHEMBL13234281 0.84 FYN (0.71) FYNPIM1NTRK1NTRK3NTRK2
SCHEMBL18613828 0.83 FYN (1.00) FYNPIM1PIM2
SCHEMBL30521822 0.83 FYN (1.00) FYNPIM1PIM2
SCHEMBL13234269 0.83 FYN (0.80) FYNPIM1NTRK1NTRK3NTRK2

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