SCHEMBL6101475

SCHEMBL6101475

Nc1cc2c(Nc3ccc(OCc4ccccn4)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 16/20 0.70
ERBB2 P04626 6/20 0.70
KDR P35968 4/20 0.61
SRC P12931 3/20 0.61
EPHB4 P54760 2/20 0.61
CIT O14578 1/20 0.61
GAK O14976 1/20 0.61
EPHB6 O15197 1/20 0.61
ABCC4 O15439 1/20 0.61
DAPK3 O43293 1/20 0.61
RIPK2 O43353 1/20 0.61
NR1I2 O75469 1/20 0.61
RPS6KA4 O75676 1/20 0.61
STK17B O94768 1/20 0.61
STK10 O94804 1/20 0.61
PRKD3 O94806 1/20 0.61
ABCB11 O95342 1/20 0.61
MAP4K4 O95819 1/20 0.61
CHEK2 O96017 1/20 0.61
ABL1 P00519 1/20 0.61

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
SCHEMBL21835284 0.96 EGFR (0.69) EGFRERBB2KDRSRCEPHB4
SCHEMBL23406671 0.92 EGFR (0.68) EGFRERBB2KDRSRCEPHB4
SCHEMBL29944978 0.92 EGFR (0.68) EGFRERBB2KDRSRCEPHB4
SCHEMBL29944974 0.92 EGFR (0.64) EGFRERBB2KDRSRCEPHB4
SCHEMBL29944990 0.92 EGFR (0.64) EGFRERBB2KDRSRCEPHB4
SCHEMBL21835221 0.90 EGFR (0.62) EGFRERBB2KDRSRCEPHB4
SCHEMBL4858957 0.87 EGFR (0.70) EGFRERBB2KDRSRCEPHB4
SCHEMBL21835303 0.86 EGFR (0.70) EGFRERBB2LCKERBB3KCNH2
SCHEMBL23406765 0.86 EGFR (0.55) EGFRERBB2KDREPHB4LCK
SCHEMBL29944988 0.86 EGFR (0.55) EGFRERBB2KDREPHB4LCK

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
WO-2006071079-A1 QUINAZOLINE DERIVATIVES FOR INHIBITING CANCER CELL GROWTH AND METHOD FOR THE PREPARATION THEREOF HANMI PHARM. CO., LTD. (KR) 2006-07-06 WO claimed
WO-2006071079-A1 QUINAZOLINE DERIVATIVES FOR INHIBITING CANCER CELL GROWTH AND METHOD FOR THE PREPARATION THEREOF HANMI PHARM. CO., LTD. (KR) 2006-07-06 WO disclosed