SCHEMBL18633105

SCHEMBL18633105

O=[N+]([O-])c1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCC1CCC2(CCNCC2)O1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 16/20 0.59
▸ EPHB4 P54760 4/20 0.48
▸ KDR P35968 3/20 0.48
▸ EPHA2 P29317 2/20 0.48
▸ FBP1 P09467 2/20 0.47
▸ ERBB2 P04626 2/20 0.46
▸ AURKA O14965 1/20 0.46
▸ INSR P06213 1/20 0.46
▸ PDGFRB P09619 1/20 0.46
▸ FLT4 P35916 1/20 0.46
▸ CLK1 P49759 1/20 0.46
▸ TEK Q02763 1/20 0.46
▸ AURKB Q96GD4 1/20 0.46

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
SCHEMBL15090643 0.90 EGFR (0.72) EGFREPHB4KDREPHA2
SCHEMBL18632988 0.88 EGFR (0.60) EGFREPHB4KDREPHA2FBP1
SCHEMBL1418175 0.83 EGFR (0.63) EGFREPHB4KDREPHA2FBP1
SCHEMBL1191058 0.83 EGFR (0.65) EGFREPHB4KDREPHA2FBP1
SCHEMBL1191213 0.83 EGFR (0.65) EGFREPHB4KDREPHA2FBP1
SCHEMBL1191056 0.83 EGFR (0.65) EGFREPHB4KDREPHA2FBP1
SCHEMBL15929510 0.82 EGFR (0.61) EGFREPHB4KDRFBP1ERBB2
SCHEMBL1191821 0.82 EGFR (0.59) EGFREPHB4KDREPHA2FBP1
SCHEMBL15100047 0.82 EGFR (0.61) EGFREPHB4KDREPHA2ERBB2
SCHEMBL1418302 0.82 EGFR (0.61) EGFREPHB4KDREPHA2FBP1

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
EP-2612860-B1 QUINAZOLINE DERIVATIVES SUBSTITUTED BY ANILINE, PREPARATION METHOD AND USE THEREOF XUANZHU PHARMA CO LTD (CN) 2017-03-15 — — EP disclosed
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