SCHEMBL3946015

SCHEMBL3946015

COC[C@H](Nc1nc(Nc2cc(C)[nH]n2)nc(N2CCCOCC2)n1)c1ncc(F)cc1F

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 12/20 0.57
JAK2 O60674 11/20 0.57
NTRK1 P04629 3/20 0.40
PLK4 O00444 2/20 0.40
AURKA O14965 2/20 0.40
AURKB Q96GD4 1/20 0.40
PAK4 O96013 1/20 0.38

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
SCHEMBL13942351 0.97 JAK3 (0.60) JAK3JAK2NTRK1PLK4AURKA
SCHEMBL13942371 0.97 JAK3 (0.60) JAK3JAK2NTRK1PLK4AURKA
SCHEMBL13943168 0.90 JAK3 (0.60) JAK3JAK2NTRK1PLK4AURKA
SCHEMBL13943954 0.88 JAK3 (0.70) JAK3JAK2NTRK1AURKAAURKB
SCHEMBL13943161 0.87 JAK3 (0.51) JAK3JAK2NTRK1PLK4AURKA
SCHEMBL13943175 0.86 JAK3 (0.61) JAK3JAK2NTRK1
SCHEMBL4028491 0.86 JAK2 (0.48) JAK3JAK2NTRK1PLK4
SCHEMBL13942856 0.86 JAK3 (0.48) JAK3JAK2PLK4PAK4
SCHEMBL13942615 0.86 JAK3 (0.48) JAK3JAK2PLK4
SCHEMBL3942638 0.85 JAK3 (0.47) JAK3JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009016410-A2 CHEMICAL COMPOUNDS 831 ASTRAZENECA AB (SE) 2009-02-05 WO disclosed
WO-2009016410-A2 CHEMICAL COMPOUNDS 831 ASTRAZENECA AB (SE) 2009-02-05 WO disclosed