SCHEMBL19027000

SCHEMBL19027000

CCOCCOc1cc2ncnc(Nc3ccc(OCCOCC(F)(F)F)c(Cl)c3)c2cc1NC=O

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 19/20 0.58
▸ ERBB2 P04626 7/20 0.58
▸ FBP1 P09467 1/20 0.48
▸ KDR P35968 1/20 0.45

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
SCHEMBL19026591 0.90 EGFR (0.59) EGFRERBB2
SCHEMBL19027150 0.89 EGFR (0.60) EGFRERBB2FBP1KDR
SCHEMBL19026693 0.88 EGFR (0.74) EGFRERBB2FBP1KDR
SCHEMBL17538482 0.83 EGFR (0.81) EGFRERBB2
SCHEMBL17538500 0.81 EGFR (0.69) EGFRERBB2
SCHEMBL17538476 0.80 EGFR (0.81) EGFRERBB2
SCHEMBL18632967 0.79 FBP1 (0.76) EGFRERBB2FBP1KDR
SCHEMBL17538501 0.78 EGFR (0.66) EGFRERBB2
SCHEMBL19125553 0.77 EGFR (0.63) EGFRERBB2FBP1KDR
SCHEMBL18979196 0.76 EGFR (0.69) EGFRERBB2FBP1KDR

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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