Gefitinib

Gefitinib

SCHEMBL28097850

COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1.[No]

nearest known ligand 0.98

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

EGFR

The experimentally established mechanism targets of Gefitinib. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR known ✓ P00533 18/20 0.98
KDR P35968 3/20 0.98
BRAF P15056 2/20 0.98
EPHB4 P54760 2/20 0.98
FLT4 P35916 2/20 0.98
CIT O14578 1/20 0.98
GAK O14976 1/20 0.98
EPHB6 O15197 1/20 0.98
ABCC4 O15439 1/20 0.98
DAPK3 O43293 1/20 0.98
RIPK2 O43353 1/20 0.98
NR1I2 O75469 1/20 0.98
RPS6KA4 O75676 1/20 0.98
STK17B O94768 1/20 0.98
STK10 O94804 1/20 0.98
PRKD3 O94806 1/20 0.98
ABCB11 O95342 1/20 0.98
MAP4K4 O95819 1/20 0.98
CHEK2 O96017 1/20 0.98
ABL1 P00519 1/20 0.98

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
Gefitinib SCHEMBL29351336 0.99 EGFR (1.00) EGFRKDRBRAFEPHB4FLT4
SCHEMBL1734701 0.99 EGFR (1.00) EGFRKDRBRAFEPHB4FLT4
Gefitinib SCHEMBL465143 0.99 EGFR (1.00) EGFRKDRBRAFEPHB4FLT4
Gefitinib SCHEMBL29351046 0.99 EGFR (1.00) EGFRKDRBRAFEPHB4FLT4
Gefitinib SCHEMBL7866 0.99 EGFR (1.00) EGFRKDRBRAFEPHB4FLT4
Gefitinib SCHEMBL2770155 0.98 EGFR (0.98) EGFRKDRBRAFEPHB4FLT4
Gefitinib SCHEMBL29371159 0.98 EGFR (0.98) EGFRKDRBRAFEPHB4FLT4
Gefitinib SCHEMBL28098790 0.98 EGFR (0.98) EGFRKDRBRAFEPHB4FLT4
Gefitinib SCHEMBL11776 0.98 EGFR (0.98) EGFRKDRBRAFEPHB4FLT4
Gefitinib SCHEMBL30887946 0.98 EGFR (0.98) EGFRKDRBRAFEPHB4FLT4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105853371-A Gefitinib long-acting injection 天津法莫西医药科技有限公司 2016-08-17 CN disclosed