SCHEMBL11889296

SCHEMBL11889296

CNc1ncc2cc(-c3c(C)ccc4c(Nc5ccc(OC)nc5)nn(C)c34)ccc2n1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LCK P06239 6/20 0.53
BRAF P15056 5/20 0.53
KDR P35968 5/20 0.50
MAPK14 Q16539 5/20 0.50
TEK Q02763 1/20 0.50
EIF2AK3 Q9NZJ5 1/20 0.42
EIF2AK4 Q9P2K8 1/20 0.42
SRC P12931 1/20 0.40
PIK3CA P42336 7/20 0.38
PIK3CG P48736 6/20 0.37
PIP4K2A P48426 2/20 0.37
PIK3CD O00329 5/20 0.36
PIK3CB P42338 5/20 0.36
EGFR P00533 1/20 0.36
FGFR1 P11362 1/20 0.36
JAK3 P52333 1/20 0.36
ULK1 O75385 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
SCHEMBL11888970 0.90 LCK (0.54) LCKBRAFKDRMAPK14TEK
SCHEMBL11889121 0.90 LCK (0.56) LCKBRAFKDRMAPK14TEK
SCHEMBL11889389 0.90 LCK (0.52) LCKBRAFKDRMAPK14TEK
SCHEMBL11889540 0.90 LCK (0.56) LCKBRAFKDRMAPK14TEK
SCHEMBL11889396 0.88 LCK (0.53) LCKBRAFKDRMAPK14TEK
SCHEMBL11889301 0.88 LCK (0.53) LCKBRAFKDRMAPK14TEK
SCHEMBL11889057 0.88 LCK (0.58) LCKBRAFKDRMAPK14TEK
SCHEMBL11889249 0.88 LCK (0.60) LCKBRAFKDRMAPK14TEK
SCHEMBL11889408 0.87 LCK (0.50) LCKBRAFKDRMAPK14TEK
SCHEMBL11889313 0.87 LCK (0.50) LCKBRAFKDRMAPK14TEK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1976836-B9 NITROGEN-CONTAINING BICYCLIC HETEROARYL COMPOUNDS FOR THE TREATMENT OF RAF PROTEIN KINASE-MEDIATED DISEASES AMGEN INC (US) 2013-02-06 EP disclosed
EP-1976836-B1 NITROGEN-CONTAINING BICYCLIC HETEROARYL COMPOUNDS FOR THE TREATMENT OF RAF PROTEIN KINASE-MEDIATED DISEASES AMGEN INC (US) 2012-08-22 EP disclosed
EP-2481729-A1 Nintrogen-containing bicyclic heteroaryl compounds for the treatment of RAF protein kinase-mediated diseases Amgen Inc. (US) 2012-08-01 EP disclosed