SCHEMBL4022668

SCHEMBL4022668

COCC(Oc1nc(Nc2cc(C)[nH]n2)nc(N2CCOCC2)n1)c1ccc(F)cn1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 15/20 0.60
JAK2 O60674 14/20 0.60
NTRK1 P04629 2/20 0.43
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL4022675 1.00 JAK3 (0.60) JAK3JAK2NTRK1MEN1MAPT
SCHEMBL4025052 0.91 JAK3 (0.58) JAK3JAK2NTRK1MEN1MAPT
SCHEMBL4025063 0.91 JAK3 (0.58) JAK3JAK2NTRK1MEN1MAPT
SCHEMBL4021826 0.89 JAK2 (0.73) JAK3JAK2NTRK1
SCHEMBL3936781 0.89 JAK2 (0.73) JAK3JAK2NTRK1
SCHEMBL4025860 0.88 JAK3 (0.59) JAK3JAK2NTRK1MEN1MAPT
SCHEMBL4025854 0.88 JAK3 (0.59) JAK3JAK2NTRK1MEN1MAPT
SCHEMBL13942386 0.87 JAK3 (0.60) JAK3JAK2NTRK1
SCHEMBL4025868 0.87 JAK3 (0.61) JAK3JAK2NTRK1MEN1MAPT
SCHEMBL13942873 0.87 JAK3 (0.61) JAK3JAK2NTRK1MEN1MAPT

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