SCHEMBL6266311

SCHEMBL6266311

CCN(CC)CCCOc1cc2cnc(N(Cl)c3ccc(F)cc3)nc2cc1OC

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 5/20 0.44
▸ KDR P35968 4/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ PDGFRB P09619 1/20 0.38
▸ PDGFRA P16234 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ EHMT2 Q96KQ7 2/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ TLR9 Q9NR96 1/20 0.35
▸ TLR7 Q9NYK1 1/20 0.35
▸ MET P08581 1/20 0.35
▸ EHMT1 Q9H9B1 1/20 0.35
▸ ERBB2 P04626 1/20 0.34

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
SCHEMBL6269488 0.90 EGFR (0.42) EGFRALDH1A1PDGFRBPDGFRAKDM4E
SCHEMBL6268116 0.82 EHMT2 (0.57) EHMT2TLR9TLR7EHMT1
SCHEMBL8438071 0.81 KDR (0.38) EGFRKDRALDH1A1PDGFRBPDGFRA
SCHEMBL5618725 0.81 EHMT2 (0.51) EGFRKDREHMT2TLR9TLR7
SCHEMBL6266172 0.81 EGFR (0.46) EGFRKDRALDH1A1PDGFRBKDM4E
SCHEMBL8436900 0.80 EPHA2 (0.42) KDRALDH1A1PDGFRBPDGFRAKDM4E
SCHEMBL3727488 0.80 EGFR (0.49) EGFRKDREHMT2TLR9TLR7
SCHEMBL6266570 0.79 EGFR (0.46) EGFRKDREHMT2EHMT1
SCHEMBL8444662 0.79 EPHA2 (0.44) KDRALDH1A1PDGFRBPDGFRAKDM4E
SCHEMBL4357645 0.78 EGFR (0.57) EGFRKDRERBB2

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
WO-2005048928-A2 METHODS FOR TREATING VIRAL INFECTION GEORGE MASON INTELLECTUAL PROPERTY (US) 2005-06-02 — — WO disclosed
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