SCHEMBL11889409

SCHEMBL11889409

CNc1ncc2cc(-c3c(C)ccc4c(Nc5cnc(NC(C)C)nc5)ncnc34)ccc2n1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LCK P06239 9/20 0.56
BRAF P15056 5/20 0.56
MAPK14 Q16539 9/20 0.48
KDR P35968 8/20 0.48
TEK Q02763 2/20 0.47
RPS6KB1 P23443 7/20 0.39
EGFR P00533 2/20 0.38
EIF2AK3 Q9NZJ5 1/20 0.37
EIF2AK4 Q9P2K8 1/20 0.37
JAK3 P52333 4/20 0.37

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
SCHEMBL4765016 0.93 LCK (0.61) LCKBRAFMAPK14KDRTEK
SCHEMBL5471596 0.90 LCK (0.54) LCKBRAFMAPK14KDRTEK
SCHEMBL11888972 0.87 LCK (0.56) LCKBRAFMAPK14KDRTEK
SCHEMBL2264429 0.83 LCK (0.56) LCKBRAFMAPK14KDRTEK
SCHEMBL4772175 0.83 LCK (0.60) LCKBRAFMAPK14KDRTEK
SCHEMBL4768484 0.82 BRAF (0.59) LCKBRAFMAPK14KDRTEK
SCHEMBL4764961 0.81 BRAF (0.56) LCKBRAFMAPK14KDRTEK
SCHEMBL4763359 0.81 LCK (0.56) LCKBRAFMAPK14KDRTEK
SCHEMBL11967615 0.81 LCK (0.53) LCKBRAFMAPK14KDRTEK
SCHEMBL11889147 0.80 BRAF (0.52) LCKBRAFMAPK14KDRTEK

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