SCHEMBL2365320

SCHEMBL2365320

Cn1cc(-c2cnc(N)c(-c3nnnn3-c3ccc(OC4CCC(C(NC(=O)O)C(C)(C)C)CC4)c(F)c3F)c2)cn1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 14/20 0.40
MAP4K4 O95819 1/20 0.37
AXL P30530 3/20 0.35
MERTK Q12866 3/20 0.35
MET P08581 1/20 0.35
LRRK2 Q5S007 1/20 0.34

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
SCHEMBL10100705 0.84 LRRK2 (0.41) MAPK1MAP4K4AXLMERTKMET
SCHEMBL2358758 0.84 LRRK2 (0.39) MAPK1MAP4K4METLRRK2
SCHEMBL2365322 0.83 MAP4K4 (0.36) MAPK1MAP4K4AXLMERTKMET
SCHEMBL2357266 0.83 MAP4K4 (0.36) MAPK1MAP4K4AXLMERTKMET
Hydrochloric Acid SCHEMBL2357336 0.83 LRRK2 (0.39) MAPK1MAP4K4METLRRK2
SCHEMBL10100639 0.83 LRRK2 (0.40) MAPK1MAP4K4METLRRK2
SCHEMBL10100381 0.83 MAP4K3 (0.42) MAP4K4METLRRK2
SCHEMBL2357270 0.83 IRAK1 (0.40) MAPK1AXLMERTKMET
SCHEMBL2356833 0.82 LRRK2 (0.39) MAPK1MAP4K4MERTKMETLRRK2
SCHEMBL10100638 0.80 LRRK2 (0.38) MAPK1MAP4K4METLRRK2

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-2350045-A1 C-MET PROTEIN KINASE INHIBITORS Vertex Pharmaceuticals Incorporated (US) 2011-08-03 EP disclosed
WO-2010048131-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-29 WO disclosed