SCHEMBL14897859

SCHEMBL14897859

N/C=C(\O)c1cccc(NC(=O)c2cnc3ccc(N4CCCC4C(F)(F)F)nn23)n1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 3/20 0.41
▸ NTRK1 P04629 17/20 0.38
▸ JAK2 O60674 1/20 0.35
▸ INSR P06213 1/20 0.35
▸ LYN P07948 1/20 0.35
▸ RET P07949 1/20 0.35
▸ MET P08581 1/20 0.35
▸ ROS1 P08922 1/20 0.35
▸ FGR P09769 1/20 0.35
▸ KIT P10721 1/20 0.35
▸ FGFR4 P22455 1/20 0.35
▸ FGFR3 P22607 1/20 0.35
▸ TIE1 P35590 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ FLT3 P36888 1/20 0.35
▸ NTRK3 Q16288 1/20 0.35
▸ NTRK2 Q16620 1/20 0.35
▸ ALK Q9UM73 1/20 0.35

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
SCHEMBL14897511 0.85 NTRK1 (0.39) IRAK4NTRK1
SCHEMBL14897739 0.83 NTRK1 (0.46) IRAK4NTRK1JAK2INSRLYN
SCHEMBL14896812 0.82 NTRK1 (0.41) IRAK4NTRK1JAK2INSRLYN
SCHEMBL16193085 0.81 NTRK1 (0.37) IRAK4NTRK1JAK2INSRLYN
SCHEMBL14881970 0.79 NTRK1 (0.43) IRAK4NTRK1
SCHEMBL14881453 0.78 NTRK1 (0.44) NTRK1
SCHEMBL14881516 0.77 LMNA (0.43) IRAK4NTRK1JAK2INSRLYN
SCHEMBL14897003 0.77 LMNA (0.43) IRAK4NTRK1JAK2INSRLYN
SCHEMBL14897403 0.77 NTRK1 (0.45) IRAK4NTRK1
SCHEMBL14896843 0.76 IRAK4 (0.41) IRAK4NTRK1

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-2013059587-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2013-04-25 — — WO disclosed
Send feedback