SCHEMBL28424819

SCHEMBL28424819

COc1cc2ncnc(Nc3ccc(F)cc3)c2cc1OCCCN1CCOCC1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 6/20 0.85
EGFR P00533 11/20 0.80
KDR P35968 7/20 0.80
RET P07949 3/20 0.80
LCK P06239 2/20 0.80
MET P08581 2/20 0.80
MAPT P10636 2/20 0.80
LTK P29376 2/20 0.80
TNK2 Q07912 2/20 0.80
MAP4K5 Q9Y4K4 2/20 0.80
FLT4 P35916 2/20 0.80
EPHB4 P54760 2/20 0.80
CIT O14578 1/20 0.80
GAK O14976 1/20 0.80
EPHB6 O15197 1/20 0.80
ABCC4 O15439 1/20 0.80
DAPK3 O43293 1/20 0.80
RIPK2 O43353 1/20 0.80
NR1I2 O75469 1/20 0.80
RPS6KA4 O75676 1/20 0.80

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
SCHEMBL3531151 0.92 SRC (0.86) SRCEGFRKDRRETLCK
SCHEMBL30416288 0.91 EGFR (0.86) SRCEGFRKDRRETLCK
SCHEMBL22383954 0.91 EGFR (0.86) SRCEGFRKDRRETLCK
SCHEMBL11304 0.91 EGFR (0.86) SRCEGFRKDRRETLCK
SCHEMBL13529060 0.91 SRC (0.84) SRCEGFRKDRRETLCK
SCHEMBL799681 0.90 EGFR (0.83) SRCEGFRKDRRETLCK
Gefitinib SCHEMBL29351336 0.89 EGFR (1.00) SRCEGFRKDRRETLCK
SCHEMBL22667930 0.89 EGFR (0.82) SRCEGFRKDRRETLCK
Gefitinib SCHEMBL29351046 0.89 EGFR (1.00) SRCEGFRKDRRETLCK
SCHEMBL1734701 0.89 EGFR (1.00) SRCEGFRKDRRETLCK

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
CN-111298127-A Composition comprising histamine release-promoting substance and inhibitory compound, and oral solid preparation containing the same 黄泳华 2020-06-19 CN claimed
CN-111298127-A Composition comprising histamine release-promoting substance and inhibitory compound, and oral solid preparation containing the same 黄泳华 2020-06-19 CN disclosed