SCHEMBL21340494

SCHEMBL21340494

C#Cc1cccc(Nc2ncnc3cc(O)c(OCCOCCO)cc23)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 16/20 0.72
ERBB2 P04626 8/20 0.67
GAK O14976 3/20 0.67
RIPK2 O43353 2/20 0.67
BUB1 O43683 2/20 0.67
STK10 O94804 2/20 0.67
ABL1 P00519 2/20 0.67
LCK P06239 2/20 0.67
LYN P07948 2/20 0.67
RET P07949 2/20 0.67
SRC P12931 2/20 0.67
FGFR2 P21802 2/20 0.67
FECH P22830 2/20 0.67
KDR P35968 2/20 0.67
FLT3 P36888 2/20 0.67
MAP3K1 Q13233 2/20 0.67
ILK Q13418 2/20 0.67
PLK4 O00444 1/20 0.67
CIT O14578 1/20 0.67
AURKA O14965 1/20 0.67

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
SCHEMBL19039482 0.96 EGFR (0.72) EGFRERBB2GAKRIPK2BUB1
SCHEMBL8684647 0.94 EGFR (0.77) EGFRERBB2GAKRIPK2BUB1
SCHEMBL8684181 0.90 EGFR (0.77) EGFRERBB2GAKRIPK2BUB1
SCHEMBL1507585 0.89 EGFR (0.85) EGFRERBB2GAKRIPK2BUB1
SCHEMBL1507594 0.87 EGFR (0.89) EGFRERBB2GAKRIPK2BUB1
Hydrochloric Acid SCHEMBL1507714 0.86 EGFR (0.87) EGFRERBB2GAKRIPK2BUB1
Hydrochloric Acid SCHEMBL29607083 0.86 EGFR (0.87) EGFRERBB2GAKRIPK2BUB1
SCHEMBL18013032 0.86 EGFR (0.66) EGFRERBB2GAKRIPK2BUB1
SCHEMBL30052378 0.85 EGFR (0.85) EGFRERBB2GAKRIPK2BUB1
SCHEMBL4348479 0.85 EGFR (0.85) EGFRERBB2GAKRIPK2BUB1

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-3760633-A1 OXAZINO-QUINAZOLINE AND OXAZINO-QUINAZOLINE TYPE COMPOUND, PREPARATION METHOD THEREFOR, AND USES THEREOF Beijing Scitech-MQ Pharmaceuticals Limited (CN) 2021-01-06 EP disclosed
WO-2019170088-A1 OXAZINO-QUINAZOLINE AND OXAZINO-QUINAZOLINE TYPE COMPOUND, PREPARATION METHOD THEREFOR, AND USES THEREOF 北京赛特明强医药科技有限公司 2019-09-12 WO disclosed