SCHEMBL30416288

SCHEMBL30416288

COc1cc2ncnc(Nc3ccc(F)c(F)c3)c2cc1OCCCN1CCOCC1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 11/20 0.86
SRC P12931 6/20 0.86
KDR P35968 6/20 0.86
FLT4 P35916 2/20 0.86
RET P07949 2/20 0.86
BRAF P15056 2/20 0.86
EPHB4 P54760 2/20 0.86
CIT O14578 1/20 0.86
GAK O14976 1/20 0.86
EPHB6 O15197 1/20 0.86
ABCC4 O15439 1/20 0.86
DAPK3 O43293 1/20 0.86
RIPK2 O43353 1/20 0.86
NR1I2 O75469 1/20 0.86
RPS6KA4 O75676 1/20 0.86
STK17B O94768 1/20 0.86
STK10 O94804 1/20 0.86
PRKD3 O94806 1/20 0.86
ABCB11 O95342 1/20 0.86
MAP4K4 O95819 1/20 0.86

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
SCHEMBL11304 1.00 EGFR (0.86) EGFRSRCKDRFLT4RET
SCHEMBL22383954 0.95 EGFR (0.86) EGFRSRCKDRFLT4RET
SCHEMBL799681 0.93 EGFR (0.83) EGFRSRCKDRFLT4RET
Gefitinib SCHEMBL29351046 0.92 EGFR (1.00) EGFRSRCKDRFLT4RET
SCHEMBL22667930 0.92 EGFR (0.82) EGFRSRCKDRFLT4RET
Gefitinib SCHEMBL7866 0.92 EGFR (1.00) EGFRSRCKDRFLT4RET
SCHEMBL1734701 0.92 EGFR (1.00) EGFRSRCKDRFLT4RET
Gefitinib SCHEMBL29351336 0.92 EGFR (1.00) EGFRSRCKDRFLT4RET
Gefitinib SCHEMBL465143 0.92 EGFR (1.00) EGFRSRCKDRFLT4RET
SCHEMBL27957018 0.92 EGFR (0.88) EGFRSRCKDRFLT4RET

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-116134022-B ATR inhibitors and uses thereof 上海德琪医药科技有限公司 2025-03-18 CN disclosed
CN-116134022-A ATR inhibitors and uses thereof 上海德琪医药科技有限公司 2023-05-16 CN disclosed