SCHEMBL4010004

SCHEMBL4010004

COc1cc(Nc2cc(N3CCOCC3)nc(O[C@@H](C)c3ncc(F)cn3)n2)n[nH]1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 12/20 0.57
JAK2 O60674 14/20 0.54
PIK3C3 Q8NEB9 1/20 0.42
IGF1R P08069 2/20 0.40
AURKA O14965 2/20 0.40
AURKB Q96GD4 1/20 0.40
KCNH2 Q12809 1/20 0.39

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
SCHEMBL4009997 1.00 JAK3 (0.57) JAK3JAK2PIK3C3IGF1RAURKA
SCHEMBL4007185 0.89 JAK2 (0.54) JAK3JAK2PIK3C3IGF1RAURKA
SCHEMBL4007177 0.89 JAK2 (0.54) JAK3JAK2PIK3C3IGF1RAURKA
SCHEMBL220721 0.84 JAK3 (0.79) JAK3JAK2IGF1RAURKAAURKB
SCHEMBL13942598 0.75 JAK3 (0.72) JAK3JAK2
SCHEMBL218817 0.73 JAK2 (0.73) JAK3JAK2
SCHEMBL4982579 0.73 JAK2 (0.80) JAK3JAK2
SCHEMBL251027 0.73 JAK2 (0.51) JAK3JAK2IGF1R
SCHEMBL220863 0.73 JAK3 (1.00) JAK3JAK2IGF1RAURKAAURKB
SCHEMBL217138 0.72 JAK2 (0.82) JAK3JAK2AURKAAURKB

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-2009007753-A2 4- (3-AMINOPYRAZOLE) -PYRIMIDINE DERIVATIVEE AND THEIR USE AS TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2009-01-15 WO disclosed