SCHEMBL21761309

SCHEMBL21761309

O=CNc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCC1COCCO1

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 19/20 0.66
▸ ERBB2 P04626 10/20 0.66
▸ EPHA2 P29317 1/20 0.57
▸ KDR P35968 1/20 0.57
▸ EPHB4 P54760 1/20 0.57

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
SCHEMBL21761372 0.87 EGFR (0.69) EGFRERBB2KDREPHB4
SCHEMBL21761244 0.85 EGFR (0.63) EGFRERBB2EPHA2KDREPHB4
SCHEMBL17821491 0.85 EGFR (0.78) EGFRERBB2
SCHEMBL16399318 0.85 EGFR (0.78) EGFRERBB2
SCHEMBL17821485 0.85 EGFR (0.78) EGFRERBB2
SCHEMBL21748179 0.85 EGFR (0.78) EGFRERBB2
SCHEMBL17821484 0.85 EGFR (0.78) EGFRERBB2
SCHEMBL16398581 0.85 EGFR (0.78) EGFRERBB2
SCHEMBL28412069 0.83 EGFR (0.76) EGFRERBB2
SCHEMBL21761408 0.82 EGFR (0.82) EGFRERBB2

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-3022186-B1 QUINAZOLINE DERIVATIVES, COMPOSITIONS THEREOF, AND USE AS PHARMACEUTICALS SHANGHAI FOCHON PHARMACEUTICAL CO LTD (CN) 2020-02-26 — — EP disclosed
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