SCHEMBL5489235

SCHEMBL5489235

Cc1ccc(NC(=O)Oc2ccc(C(F)(F)F)cc2)cc1-c1ccc2nc(N)ncc2c1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LCK P06239 16/20 0.69
KDR P35968 11/20 0.69
MAPK14 Q16539 10/20 0.69
JAK3 P52333 9/20 0.69
TEK Q02763 4/20 0.69
BRAF P15056 2/20 0.51
KIT P10721 1/20 0.49
SRC P12931 1/20 0.49
DDR2 Q16832 2/20 0.48
ABL1 P00519 1/20 0.46

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
SCHEMBL5493977 0.91 LCK (0.77) LCKKDRMAPK14JAK3TEK
SCHEMBL5489229 0.84 LCK (0.65) LCKKDRMAPK14JAK3TEK
SCHEMBL5500876 0.83 LCK (0.85) LCKKDRMAPK14JAK3TEK
SCHEMBL5489108 0.83 LCK (0.82) LCKKDRMAPK14JAK3TEK
SCHEMBL5490529 0.82 LCK (0.70) LCKKDRMAPK14JAK3TEK
SCHEMBL5499000 0.82 LCK (1.00) LCKKDRMAPK14JAK3TEK
SCHEMBL5498732 0.81 LCK (0.74) LCKKDRMAPK14JAK3TEK
SCHEMBL5501211 0.81 LCK (0.74) LCKKDRMAPK14JAK3TEK
SCHEMBL5499042 0.81 LCK (0.74) LCKKDRMAPK14JAK3TEK
SCHEMBL5501072 0.81 LCK (0.74) LCKKDRMAPK14JAK3TEK

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-1836174-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC. (US) 2007-09-26 EP disclosed
WO-2006039718-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2006-04-13 WO disclosed