SCHEMBL21416857

SCHEMBL21416857

Nc1ncc2cc(-c3c(Cl)cccc3Br)ccc2n1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LCK P06239 11/20 0.49
KDR P35968 4/20 0.49
JAK3 P52333 1/20 0.49
MAPK14 Q16539 1/20 0.49
SRC P12931 14/20 0.46
FGFR1 P11362 5/20 0.46
KIT P10721 9/20 0.46
FGFR4 P22455 2/20 0.44
PDGFRA P16234 2/20 0.43
PDGFRB P09619 1/20 0.43
ABL1 P00519 1/20 0.41
EGFR P00533 1/20 0.41
FGFR2 P21802 1/20 0.41
FGFR3 P22607 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
SCHEMBL5491730 0.90 LCK (0.55) LCKKDRJAK3MAPK14SRC
SCHEMBL5494660 0.85 LCK (0.64) LCKKDRJAK3MAPK14SRC
SCHEMBL42089 0.80 LCK (0.73) LCKKDRJAK3MAPK14SRC
SCHEMBL28298101 0.77 LCK (0.69) LCKKDRJAK3MAPK14SRC
SCHEMBL5489026 0.72 LCK (0.55) LCKKDRJAK3MAPK14SRC
SCHEMBL5488838 0.72 MAP4K4 (0.61) LCKKDRJAK3MAPK14SRC
SCHEMBL8129675 0.72 FGFR1 (0.82) SRCFGFR1FGFR4PDGFRAPDGFRB
SCHEMBL2846087 0.71 BIRC5 (0.55) KDRSRCFGFR1PDGFRAPDGFRB
SCHEMBL2741576 0.71 LCK (0.65) LCKKDRJAK3MAPK14SRC
SCHEMBL2850180 0.71 FABP3 (0.49)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1836174-B2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2019-10-02 EP disclosed