SCHEMBL14024005

SCHEMBL14024005

COc1ccc(-c2ccc3ncc(C)n3n2)cc1OC

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FYN P06241 18/20 0.76
BRD4 O60885 1/20 0.65
PIK3CA P42336 1/20 0.63
ATR Q13535 1/20 0.63

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
SCHEMBL3512915 0.86 FYN (1.00) FYNPIK3CAATR
SCHEMBL30521838 0.86 FYN (1.00) FYNPIK3CAATR
SCHEMBL3515271 0.85 FYN (0.74) FYNBRD4PIK3CAATR
SCHEMBL3514483 0.81 FYN (0.83) FYNPIK3CAATR
SCHEMBL20485736 0.81 FYN (1.00) FYN
SCHEMBL2903376 0.81 FYN (0.71) FYNPIK3CAATR
SCHEMBL16330948 0.81 FYN (1.00) FYNPIK3CAATR
SCHEMBL18613417 0.81 FYN (1.00) FYN
SCHEMBL18613675 0.79 FYN (1.00) FYN
SCHEMBL23571215 0.79 BRD4 (1.00) FYNBRD4

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
WO-2008138889-A2 3, 6-DISUBSTITUTED-IMIDAZO [1, 2-B] PYRIDAZINES AND 3, 5-DISUBSTITUTED PYRAZOLO[1, 5-A] PYRIMIDINES AS PHOSPHATIDYLINOSITOL-3-KINASE INHIBITORS NOVARTIS AG (CH) 2008-11-20 WO disclosed