SCHEMBL4564828

SCHEMBL4564828

CCCN1C[C@H]2CC(COc3cc4ncnc(Nc5ccc(Br)c(Cl)c5F)c4cc3OC)C[C@H]2C1

nearest known ligand 0.90

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHA2 P29317 20/20 0.90
KDR P35968 19/20 0.90
EPHB4 P54760 17/20 0.90
ERBB2 P04626 13/20 0.90
FLT1 P17948 9/20 0.90
GAK O14976 1/20 0.74
EPHB6 O15197 1/20 0.74
RIPK2 O43353 1/20 0.74
STK10 O94804 1/20 0.74
MAP4K4 O95819 1/20 0.74
ABL1 P00519 1/20 0.74
EGFR P00533 1/20 0.74
LCK P06239 1/20 0.74
YES1 P07947 1/20 0.74
LYN P07948 1/20 0.74
RET P07949 1/20 0.74
HCK P08631 1/20 0.74
BCR P11274 1/20 0.74
SRC P12931 1/20 0.74
EPHA1 P21709 1/20 0.74

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
Hydrochloric Acid SCHEMBL6017695 0.99 EPHA2 (0.89) EPHA2KDREPHB4ERBB2FLT1
SCHEMBL906897 0.95 EPHA2 (1.00) EPHA2KDREPHB4ERBB2FLT1
SCHEMBL906898 0.95 EPHA2 (1.00) EPHA2KDREPHB4ERBB2FLT1
SCHEMBL906896 0.95 EPHA2 (1.00) EPHA2KDREPHB4ERBB2FLT1
Hydrochloric Acid SCHEMBL1225357 0.94 EPHA2 (0.98) EPHA2KDREPHB4ERBB2FLT1
Hydrochloric Acid SCHEMBL906914 0.94 EPHA2 (0.98) EPHA2KDREPHB4ERBB2FLT1
Hydrochloric Acid SCHEMBL906974 0.94 EPHA2 (0.98) EPHA2KDREPHB4ERBB2FLT1
SCHEMBL907745 0.93 EPHA2 (1.00) EPHA2KDREPHB4ERBB2FLT1
SCHEMBL907749 0.93 EPHA2 (1.00) EPHA2KDREPHB4ERBB2FLT1
SCHEMBL907747 0.93 EPHA2 (1.00) EPHA2KDREPHB4ERBB2FLT1

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
WO-2009017838-A2 COMBINATIONS OF JAK-2 INHIBITORS AND OTHER AGENTS EXELIXIS, INC. (US) 2009-02-05 WO claimed