SCHEMBL19027153

SCHEMBL19027153

CNc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCNSC

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 19/20 0.66
▸ FBP1 P09467 2/20 0.61
▸ KDR P35968 3/20 0.60
▸ ERBB2 P04626 2/20 0.60
▸ AURKA O14965 1/20 0.60
▸ INSR P06213 1/20 0.60
▸ PDGFRB P09619 1/20 0.60
▸ FLT4 P35916 1/20 0.60
▸ CLK1 P49759 1/20 0.60
▸ EPHB4 P54760 1/20 0.60
▸ TEK Q02763 1/20 0.60
▸ AURKB Q96GD4 1/20 0.60
▸ ERBB4 Q15303 1/20 0.56

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
SCHEMBL19124192 0.88 EGFR (0.67) EGFRFBP1KDRERBB2AURKA
SCHEMBL18660007 0.86 FBP1 (0.82) EGFRFBP1KDRERBB2AURKA
SCHEMBL19125531 0.84 FBP1 (0.62) EGFRFBP1KDRERBB2AURKA
SCHEMBL22519385 0.83 EGFR (0.81) EGFRFBP1KDRERBB2AURKA
SCHEMBL7802281 0.80 EGFR (0.67) EGFRFBP1KDRERBB2AURKA
SCHEMBL19006863 0.79 EGFR (0.64) EGFRKDRERBB2
SCHEMBL18655499 0.79 EGFR (0.85) EGFRFBP1KDRERBB2AURKA
SCHEMBL22336746 0.79 EGFR (0.94) EGFRFBP1KDRERBB2AURKA
SCHEMBL23816626 0.78 EGFR (0.65) EGFRFBP1KDRERBB2AURKA
SCHEMBL18631603 0.78 FBP1 (0.74) EGFRFBP1KDRERBB2AURKA

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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