SCHEMBL7653871

SCHEMBL7653871

COc1cc2ncnc(Nc3ccc(OC(F)(F)F)cc3)c2cc1OC

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 16/20 0.77
LCK P06239 6/20 0.77
KDR P35968 8/20 0.69
RIPK2 O43353 2/20 0.69
EPHB2 P29323 1/20 0.69
RET P07949 3/20 0.67
FLT1 P17948 1/20 0.67
GAK O14976 1/20 0.67
STK10 O94804 1/20 0.67
FLT3 P36888 1/20 0.67
JAK3 P52333 1/20 0.67
AAK1 Q2M2I8 1/20 0.67
Q6ZSR9 Q6ZSR9 1/20 0.67
SLK Q9H2G2 1/20 0.67
IRAK4 Q9NWZ3 1/20 0.67
RPS6KA6 Q9UK32 1/20 0.67
ALK Q9UM73 1/20 0.67
ABCG2 Q9UNQ0 2/20 0.67
CLK1 P49759 1/20 0.67
SRC P12931 1/20 0.61

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
SCHEMBL5472599 0.87 EGFR (1.00) EGFRLCKKDRRIPK2EPHB2
SCHEMBL5864762 0.87 KDR (0.78) EGFRLCKKDREPHB2RET
Hydrochloric Acid SCHEMBL5479915 0.86 EGFR (1.00) EGFRLCKKDRRIPK2EPHB2
SCHEMBL5864703 0.85 EGFR (0.84) EGFRLCKKDRRIPK2RET
SCHEMBL5478005 0.83 EGFR (1.00) EGFRLCKKDRRIPK2RET
Hydrochloric Acid SCHEMBL5471121 0.82 EGFR (1.00) EGFRLCKKDRRIPK2RET
Hydrochloric Acid SCHEMBL29623261 0.82 EGFR (1.00) EGFRLCKKDRRIPK2RET
SCHEMBL5467825 0.82 EGFR (1.00) EGFRLCKKDRRIPK2EPHB2
SCHEMBL5473778 0.82 EGFR (0.80) EGFRLCKKDRRIPK2EPHB2
SCHEMBL3533221 0.82 EGFR (0.80) EGFRLCKKDRRIPK2EPHB2

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
US-6358962-B2 ANTIALLERGENS; ANTITUMOR AGENTS; ANTICANCER AGENTS PARKER HUGHES INSTITUTE 2002-03-19 US claimed