SCHEMBL28409239

SCHEMBL28409239

C/C=C/c1ccc(Nc2ncnc3cc(N4CCOCC4)c(F)cc23)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 13/20 0.63
MAPT P10636 3/20 0.51
MAPK1 P28482 1/20 0.51
AHR P35869 1/20 0.51
HTT P42858 1/20 0.51
PI4KB Q9UBF8 1/20 0.45
SRC P12931 2/20 0.44
KDR P35968 2/20 0.44
EPHB4 P54760 2/20 0.44
CIT O14578 1/20 0.44
GAK O14976 1/20 0.44
EPHB6 O15197 1/20 0.44
ABCC4 O15439 1/20 0.44
DAPK3 O43293 1/20 0.44
RIPK2 O43353 1/20 0.44
NR1I2 O75469 1/20 0.44
RPS6KA4 O75676 1/20 0.44
STK17B O94768 1/20 0.44
STK10 O94804 1/20 0.44
PRKD3 O94806 1/20 0.44

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
SCHEMBL28182145 0.88 EGFR (0.51) EGFRKDREPHB4ERBB2RET
SCHEMBL28181381 0.82 EGFR (0.53) EGFRMAPTKDREPHB4GAK
SCHEMBL28407489 0.81 EGFR (0.76) EGFRMAPTSRCKDREPHB4
SCHEMBL28700309 0.78 EGFR (0.91) EGFRMAPTSRCKDREPHB4
SCHEMBL28709898 0.77 EGFR (1.00) EGFRMAPTSRCKDREPHB4
SCHEMBL28181387 0.76 EGFR (0.63) EGFRMAPTSRCKDREPHB4
SCHEMBL7475167 0.74 EGFR (0.51) EGFRMAPTMAPK1AHRHTT
SCHEMBL28409241 0.73 EPHA2 (0.49) EGFRKDREPHB4EPHA2
SCHEMBL28180909 0.72 MAPT (0.50) EGFRMAPTMAPK1HTTNPC1
SCHEMBL28407547 0.70 EGFR (0.49) EGFRRETABCG2EPHA2

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-107200715-B Quinazoline derivative and application thereof in preparation of antitumor drugs 陕西师范大学 2020-05-29 CN disclosed
CN-107200715-A Quinazoline derivant and its application in antineoplastic is prepared 陕西师范大学 2017-09-26 CN disclosed