SCHEMBL8178573

SCHEMBL8178573

CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1CCC(n2c(=O)c3cc(F)cnc3n(-c3cccc(-c4ccc(CN5CCCN(C)CC5)cc4)c3)c2=O)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 3/20 0.35
FLT3 P36888 3/20 0.35
TYRO3 Q06418 3/20 0.35
MERTK Q12866 3/20 0.35
MAP4K4 O95819 1/20 0.35
NTRK1 P04629 1/20 0.35
MELK Q14680 1/20 0.35
NTRK3 Q16288 1/20 0.35
NTRK2 Q16620 1/20 0.35
SLK Q9H2G2 1/20 0.35
TNIK Q9UKE5 1/20 0.35
PDE4B Q07343 6/20 0.35
AVPR1B P47901 4/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PARP1 P09874 1/20 0.33
PARP2 Q9UGN5 1/20 0.33
SLC2A1 P11166 2/20 0.33
CHKA P35790 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL8170677 1.00 AXL (0.35) AXLFLT3TYRO3MERTKMAP4K4
SCHEMBL10271900 1.00 AXL (0.35) AXLFLT3TYRO3MERTKMAP4K4
SCHEMBL10271513 1.00 AXL (0.35) AXLFLT3TYRO3MERTKMAP4K4
SCHEMBL3018666 0.92 AVPR1B (0.39) AXLFLT3TYRO3MERTKMAP4K4
SCHEMBL3027277 0.92 AVPR1B (0.39) AXLFLT3TYRO3MERTKMAP4K4
SCHEMBL3027272 0.92 AVPR1B (0.39) AXLFLT3TYRO3MERTKMAP4K4
SCHEMBL3018676 0.92 AVPR1B (0.39) AXLFLT3TYRO3MERTKMAP4K4
SCHEMBL10272053 0.92 PARP1 (0.38) AXLFLT3TYRO3MERTKMAP4K4
SCHEMBL8193271 0.92 PARP1 (0.38) AXLFLT3TYRO3MERTKMAP4K4
SCHEMBL8176962 0.91 SCN9A (0.38) AVPR1BSLC2A1TP53

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-2008084223-A2 CHEMICAL COMPOUNDS 637: PYRIDOPYRIMIDINEDIONES AS PDE4 INHIBITORS ASTRAZENECA AB (SE) 2008-07-17 WO disclosed