SCHEMBL7684053

SCHEMBL7684053

CC1C(=O)OCCN1CCCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.56
CIT O14578 1/20 0.53
GAK O14976 1/20 0.53
EPHB6 O15197 1/20 0.53
ABCC4 O15439 1/20 0.53
DAPK3 O43293 1/20 0.53
RIPK2 O43353 1/20 0.53
NR1I2 O75469 1/20 0.53
RPS6KA4 O75676 1/20 0.53
STK17B O94768 1/20 0.53
STK10 O94804 1/20 0.53
PRKD3 O94806 1/20 0.53
ABCB11 O95342 1/20 0.53
MAP4K4 O95819 1/20 0.53
CHEK2 O96017 1/20 0.53
ABL1 P00519 1/20 0.53
ERBB2 P04626 1/20 0.53
LCK P06239 1/20 0.53
LYN P07948 1/20 0.53
RET P07949 1/20 0.53

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
SCHEMBL6992935 1.00 EGFR (0.56) EGFRCITGAKEPHB6ABCC4
SCHEMBL7682124 0.89 EGFR (0.55) EGFRCITGAKEPHB6ABCC4
SCHEMBL6998328 0.87 EGFR (0.71) EGFRCITGAKEPHB6ABCC4
SCHEMBL6994537 0.84 EGFR (0.70) EGFRCITGAKEPHB6ABCC4
SCHEMBL7684212 0.83 EGFR (0.71) EGFRCITGAKEPHB6RIPK2
SCHEMBL6987334 0.83 EGFR (0.71) EGFRCITGAKEPHB6RIPK2
SCHEMBL6987765 0.82 EGFR (0.56) EGFRCITGAKEPHB6ABCC4
SCHEMBL6990406 0.82 EGFR (0.56) EGFRCITGAKEPHB6ABCC4
SCHEMBL7690356 0.82 EGFR (0.56) EGFRCITGAKEPHB6ABCC4
SCHEMBL5675006 0.82 EGFR (0.75) EGFRCITGAKEPHB6ABCC4

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
US-6403580-B1 HAVING AN INHIBITORY EFFECT ON SIGNAL TRANSDUCTION MEDIATED BY TYROSINE KINASES, THE USE THEREOF FOR TREATING DISEASES, PARTICULARLY TUMORAL DISEASES, DISEASES OF THE LUNGS AND RESPIRATORY TRACT, AND THE PREPARATION THEREOF. BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-06-11 US disclosed