SCHEMBL20326195

SCHEMBL20326195

CCOC(=O)COCCOCCOCCOCCOCCOc1cc2c(Nc3ccc(F)c(C)c3)ncnc2cc1OC

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 16/20 0.61
▸ EGFR P00533 14/20 0.61
▸ ERBB2 P04626 2/20 0.57
▸ HDAC3 O15379 1/20 0.57
▸ HDAC4 P56524 1/20 0.57
▸ HDAC1 Q13547 1/20 0.57
▸ HDAC7 Q8WUI4 1/20 0.57
▸ HDAC2 Q92769 1/20 0.57
▸ HDAC10 Q969S8 1/20 0.57
▸ HDAC11 Q96DB2 1/20 0.57
▸ HDAC8 Q9BY41 1/20 0.57
▸ HDAC6 Q9UBN7 1/20 0.57
▸ HDAC9 Q9UKV0 1/20 0.57
▸ HDAC5 Q9UQL6 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
SCHEMBL20305537 0.92 EGFR (0.70) KDREGFRERBB2HDAC3HDAC4
SCHEMBL13498209 0.90 EGFR (0.64) KDREGFRERBB2
SCHEMBL641952 0.83 EGFR (0.73) KDREGFRERBB2HDAC3HDAC4
SCHEMBL25707230 0.82 RET (0.68) KDREGFRERBB2
SCHEMBL14066712 0.82 HDAC3 (0.82) KDREGFRERBB2HDAC3HDAC4
SCHEMBL19220797 0.82 HDAC3 (0.69) KDREGFRERBB2HDAC3HDAC4
SCHEMBL14066710 0.82 HDAC3 (0.68) KDREGFRERBB2HDAC3HDAC4
SCHEMBL20305795 0.81 EGFR (0.74) KDREGFRERBB2HDAC3HDAC4
SCHEMBL19220795 0.81 HDAC3 (0.69) KDREGFRERBB2HDAC3HDAC4
SCHEMBL643027 0.81 EGFR (0.79) KDREGFRERBB2HDAC3HDAC4

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-2018119441-A1 EGFR PROTEOLYSIS TARGETING CHIMERIC MOLECULES AND ASSOCIATED METHODS OF USE Arvinas, Inc. (US) 2018-06-28 — — WO disclosed
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