SCHEMBL19026904

SCHEMBL19026904

C=CSONc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCOCC

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 19/20 0.67
▸ ERBB2 P04626 5/20 0.67
▸ FBP1 P09467 2/20 0.59
▸ KDR P35968 2/20 0.56
▸ ERBB3 P21860 1/20 0.54
▸ DUS2 Q9NX74 1/20 0.54
▸ AURKA O14965 1/20 0.54
▸ INSR P06213 1/20 0.54
▸ PDGFRB P09619 1/20 0.54
▸ FLT4 P35916 1/20 0.54
▸ CLK1 P49759 1/20 0.54
▸ EPHB4 P54760 1/20 0.54
▸ TEK Q02763 1/20 0.54
▸ AURKB Q96GD4 1/20 0.54

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
SCHEMBL19026695 0.89 EGFR (0.69) EGFRERBB2FBP1KDRERBB3
SCHEMBL17538558 0.85 EGFR (0.68) EGFRERBB2FBP1KDRERBB3
SCHEMBL19026693 0.84 EGFR (0.74) EGFRERBB2FBP1KDRAURKA
SCHEMBL17538496 0.84 EGFR (0.86) EGFRERBB2KDRERBB3DUS2
SCHEMBL18979196 0.84 EGFR (0.69) EGFRERBB2FBP1KDRERBB3
SCHEMBL17538488 0.82 EGFR (0.81) EGFRERBB2FBP1KDR
SCHEMBL17538494 0.81 FBP1 (0.70) EGFRERBB2FBP1KDRAURKA
SCHEMBL17538484 0.81 EGFR (0.76) EGFRERBB2FBP1KDRERBB3
SCHEMBL17538543 0.81 EGFR (0.76) EGFRERBB2FBP1KDRERBB3
SCHEMBL17538497 0.81 EGFR (0.76) EGFRERBB2FBP1KDRERBB3

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-3181553-A1 QUINAZOLINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF Arromax Pharmatech Co., Ltd. (CN) 2017-06-21 — — EP disclosed
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