SCHEMBL8808387

SCHEMBL8808387

COc1cc2ncnc(Nc3ccc(COc4ccccc4)cc3)c2cc1OC

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 15/20 0.75
RIPK2 O43353 2/20 0.75
EPHB2 P29323 1/20 0.75
KDR P35968 6/20 0.73
RET P07949 3/20 0.73
LCK P06239 4/20 0.72
ERBB2 P04626 3/20 0.71
ERBB4 Q15303 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
PIK3CD O00329 1/20 0.65
PIK3CA P42336 1/20 0.65

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
SCHEMBL242224 0.95 EGFR (0.78) EGFRRIPK2EPHB2KDRRET
SCHEMBL30141491 0.95 EGFR (0.78) EGFRRIPK2EPHB2KDRRET
Hydrochloric Acid SCHEMBL8809813 0.94 EGFR (0.76) EGFRRIPK2EPHB2KDRRET
SCHEMBL30891782 0.90 EGFR (0.83) EGFRRIPK2EPHB2KDRRET
SCHEMBL15607659 0.89 EGFR (0.78) EGFRRIPK2EPHB2KDRRET
SCHEMBL1387156 0.87 EGFR (0.75) EGFRRIPK2EPHB2KDRRET
SCHEMBL18158179 0.87 EGFR (0.79) EGFRRIPK2EPHB2KDRRET
Trifluoroacetic Acid SCHEMBL20494312 0.87 EGFR (0.72) EGFRRIPK2EPHB2KDRRET
Hydrochloric Acid SCHEMBL8811182 0.86 EGFR (0.76) EGFRRIPK2EPHB2KDRRET
Hydrochloric Acid SCHEMBL8364042 0.86 EGFR (0.70) EGFRRIPK2EPHB2KDRRET

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-0782570-A1 SUBSTITUTED HETEROAROMATIC COMPOUNDS AND THEIR USE IN MEDICINE THE WELLCOME FOUNDATION LIMITED (GB) 1997-07-09 EP disclosed
WO-1996009294-A1 SUBSTITUTED HETEROAROMATIC COMPOUNDS AND THEIR USE IN MEDICINE THE WELLCOME FOUNDATION LIMITED (GB) 1996-03-28 WO disclosed