SCHEMBL7906295

SCHEMBL7906295

c1cc(N2CCNCC2)ncc1-c1cnc2[nH]cc(-c3ccc4c(c3)CCN4)c2c1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 7/20 0.66
IL2 P60568 5/20 0.66
MAP3K11 Q16584 4/20 0.66
NTRK1 P04629 2/20 0.44
DYRK1A Q13627 2/20 0.42
TNIK Q9UKE5 4/20 0.42
PIK3CD O00329 1/20 0.42
PIK3CA P42336 1/20 0.42
PIK3CB P42338 1/20 0.42
PIK3CG P48736 1/20 0.42
CLK1 P49759 1/20 0.41
DYRK2 Q92630 1/20 0.41
DYRK1B Q9Y463 1/20 0.41

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
SCHEMBL12066047 0.83 MAP3K11 (0.67) MAP4K1MAP3K11NTRK1TNIK
SCHEMBL7906293 0.82 MAP4K1 (0.55) MAP4K1IL2MAP3K11NTRK1DYRK1A
SCHEMBL7908989 0.81 MAP3K11 (0.63) MAP3K11NTRK1DYRK1ATNIKPIK3CA
SCHEMBL7907491 0.81 AXL (0.64) MAP3K11NTRK1TNIK
SCHEMBL7910407 0.81 MAP3K11 (0.47) MAP4K1MAP3K11NTRK1DYRK1ATNIK
SCHEMBL7906551 0.80 KIT (0.57) MAP3K11NTRK1DYRK1ATNIKPIK3CA
SCHEMBL7905041 0.80 NTRK1 (0.63) MAP3K11NTRK1DYRK1ATNIKPIK3CA
SCHEMBL30400140 0.79 MAP4K1 (0.64) MAP4K1IL2MAP3K11TNIK
SCHEMBL26178075 0.79 MAP4K1 (0.64) MAP4K1IL2MAP3K11TNIK
SCHEMBL723387 0.79 MAP3K11 (1.00) MAP4K1IL2MAP3K11NTRK1DYRK1A

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-2010068483-A2 MLK INHIBITORS AND METHODS OF USE UNIVERSITY OF ROCHESTER (US) 2010-06-17 WO disclosed