SCHEMBL4025854

SCHEMBL4025854

COCC(Oc1nc(Nc2cc(C)[nH]n2)nc(N2CCOCC2)n1)c1ncc(F)cc1F

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 10/20 0.59
JAK2 O60674 9/20 0.59
NTRK1 P04629 3/20 0.41
PLK4 O00444 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
AURKA O14965 2/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 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
SCHEMBL4025860 1.00 JAK3 (0.59) JAK3JAK2NTRK1PLK4MEN1
SCHEMBL4025063 0.90 JAK3 (0.58) JAK3JAK2NTRK1PLK4MEN1
SCHEMBL4025052 0.90 JAK3 (0.58) JAK3JAK2NTRK1PLK4MEN1
SCHEMBL4022668 0.88 JAK3 (0.60) JAK3JAK2NTRK1MEN1KMT2A
SCHEMBL4022675 0.88 JAK3 (0.60) JAK3JAK2NTRK1MEN1KMT2A
SCHEMBL13942371 0.87 JAK3 (0.60) JAK3JAK2NTRK1PLK4AURKA
SCHEMBL13942351 0.87 JAK3 (0.60) JAK3JAK2NTRK1PLK4AURKA
SCHEMBL4983862 0.85 JAK3 (0.79) JAK3JAK2NTRK1PLK4AURKA
SCHEMBL3946015 0.84 JAK3 (0.57) JAK3JAK2NTRK1PLK4AURKA
SCHEMBL13943168 0.81 JAK3 (0.60) JAK3JAK2NTRK1PLK4AURKA

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