SCHEMBL13495128

SCHEMBL13495128

CC(C)Oc1ccc(-c2n[nH]c3ccc(N)cc23)cn1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 2/20 0.52
AXL P30530 2/20 0.50
MAPK1 P28482 3/20 0.48
MET P08581 1/20 0.47
KDR P35968 1/20 0.45
ETV6 P41212 1/20 0.45
GSK3B P49841 1/20 0.45
PIK3CD O00329 1/20 0.44
PIK3CA P42336 1/20 0.44
PIK3CB P42338 1/20 0.44
PI4KA P42356 1/20 0.44
PIK3CG P48736 1/20 0.44
PI4KB Q9UBF8 1/20 0.44
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 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
SCHEMBL12403862 0.86 AXL (0.53) LRRK2AXLMAPK1GSK3BPIK3CA
SCHEMBL20420387 0.85 LRRK2 (0.52) LRRK2MAPK1METKDRETV6
SCHEMBL15662422 0.84 AXL (0.51) LRRK2AXLKDRETV6GSK3B
SCHEMBL3407553 0.84 MAPK1 (0.48) LRRK2AXLMAPK1GSK3BHTR2A
SCHEMBL27852657 0.82 MAPK1 (0.53) LRRK2MAPK1MET
SCHEMBL15661363 0.81 AXL (0.48) LRRK2AXLMAPK1GSK3BPIK3CD
SCHEMBL13748883 0.79 LRRK2 (0.61) LRRK2MAPK1METKDRETV6
SCHEMBL11996741 0.79 LRRK2 (0.61) LRRK2MAPK1METKDRETV6
SCHEMBL15178476 0.76 AXL (0.53) AXLMAPK1GSK3BHTR2AHTR2C
SCHEMBL15662906 0.76 AXL (0.53) AXLMAPK1GSK3BHTR2AHTR2C

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2260031-B1 COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME (US) 2015-10-07 EP disclosed
US-8716483-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2014-05-06 US disclosed
WO-2010021978-A2 IL-8 BIOMARKER SCHERING CORPORATION (US) 2010-02-25 WO disclosed
WO-2009105500-A1 COMPOUNDS THAT ARE ERK INHIBITORS SCHERING CORPORATION (US) 2009-08-27 WO disclosed