SCHEMBL2389079

SCHEMBL2389079

Nn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2cc(F)cc(C(F)(F)F)c2)c2cncnc21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF2AK3 Q9NZJ5 9/20 0.67
RIPK1 Q13546 12/20 0.60
NTRK1 P04629 2/20 0.54
LCK P06239 2/20 0.54
YES1 P07947 2/20 0.54
RET P07949 2/20 0.54
KIT P10721 2/20 0.54
EIF2AK2 P19525 2/20 0.54
AXL P30530 2/20 0.54
MAP3K9 P80192 2/20 0.54
MAP3K10 Q02779 2/20 0.54
MERTK Q12866 2/20 0.54
PTK6 Q13882 2/20 0.54
NTRK3 Q16288 2/20 0.54
NTRK2 Q16620 2/20 0.54
DDR2 Q16832 2/20 0.54
AURKB Q96GD4 2/20 0.54
EIF2AK1 Q9BQI3 2/20 0.54
MAP4K5 Q9Y4K4 2/20 0.54
CYP1A2 P05177 1/20 0.54

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
SCHEMBL869448 0.80 EIF2AK3 (1.00) EIF2AK3RIPK1NTRK1LCKYES1
SCHEMBL13861464 0.79 EIF2AK3 (0.85) EIF2AK3RIPK1NTRK1LCKYES1
SCHEMBL869164 0.76 EIF2AK3 (0.72) EIF2AK3RIPK1NTRK1LCKYES1
SCHEMBL16156134 0.76 RIPK1 (0.60) EIF2AK3RIPK1NTRK1LCKYES1
SCHEMBL2373183 0.75 RIPK1 (0.77) EIF2AK3RIPK1NTRK1LCKYES1
SCHEMBL30100854 0.75 EIF2AK3 (0.80) EIF2AK3RIPK1NTRK1LCKYES1
SCHEMBL27191049 0.75 EIF2AK3 (0.80) EIF2AK3RIPK1NTRK1LCKYES1
SCHEMBL2373928 0.74 RIPK1 (0.60) EIF2AK3RIPK1NTRK1LCKYES1
SCHEMBL868920 0.72 EIF2AK3 (0.87) EIF2AK3RIPK1NTRK1LCKYES1
SCHEMBL23059993 0.71 RIPK1 (0.61) EIF2AK3RIPK1NTRK1LCKYES1

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
EP-2549868-A1 CHEMICAL COMPOUNDS GlaxoSmithKline LLC (US) 2013-01-30 EP disclosed
WO-2011119663-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-09-29 WO disclosed