SCHEMBL11889072

SCHEMBL11889072

CNc1ncc2cc(-c3c(C)cnc4c(Nc5cccc(C(F)(F)F)c5)nccc34)ccc2n1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LCK P06239 11/20 0.55
KDR P35968 8/20 0.55
MAPK14 Q16539 8/20 0.55
JAK3 P52333 5/20 0.55
BRAF P15056 5/20 0.54
TEK Q02763 4/20 0.53
IDH2 P48735 1/20 0.44
CTSC P53634 2/20 0.44
DDR2 Q16832 3/20 0.43
EGFR P00533 1/20 0.42
P2RX3 P56373 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
SCHEMBL2263470 0.89 LCK (0.69) LCKKDRMAPK14JAK3BRAF
SCHEMBL2262925 0.85 LCK (0.51) LCKKDRMAPK14JAK3BRAF
SCHEMBL11889165 0.83 BRAF (0.58) LCKKDRMAPK14JAK3BRAF
SCHEMBL2265281 0.81 LCK (0.70) LCKKDRMAPK14JAK3BRAF
SCHEMBL11889222 0.80 LCK (0.54) LCKKDRMAPK14JAK3BRAF
SCHEMBL2268814 0.80 LCK (0.55) LCKKDRMAPK14JAK3BRAF
SCHEMBL2264973 0.79 LCK (0.55) LCKKDRMAPK14JAK3BRAF
SCHEMBL2263097 0.78 LCK (0.69) LCKKDRMAPK14JAK3BRAF
SCHEMBL12230802 0.78 LCK (0.57) LCKKDRMAPK14JAK3BRAF
SCHEMBL11889207 0.78 LCK (0.58) LCKKDRMAPK14JAK3BRAF

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