SCHEMBL13514653

SCHEMBL13514653

CCN(CC)CCCn1ccn(-c2ccc3c(Nc4cccc(C)c4)ncnc3c2)c1=O

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 16/20 0.45
▸ HTT P42858 1/20 0.45
▸ HIF1A Q16665 1/20 0.45
▸ ERBB2 P04626 3/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ LMNA P02545 1/20 0.40

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
SCHEMBL13549187 0.89 FBP1 (0.48) EGFRERBB2LMNA
SCHEMBL13514657 0.84 EGFR (0.57) EGFRHTTHIF1A
SCHEMBL13514762 0.84 EGFR (0.47) EGFRERBB2
SCHEMBL13514655 0.83 ALDH1A1 (0.48) EGFRHTTHIF1AERBB2MAPK1
SCHEMBL13549176 0.82 EGFR (0.50) EGFRERBB2
SCHEMBL1766099 0.77 FBP1 (0.49) EGFRERBB2LMNA
SCHEMBL13514771 0.76 ALDH1A1 (0.48) EGFRHTTHIF1AERBB2MAPK1
SCHEMBL13549188 0.75 EGFR (0.53) EGFRERBB2LMNA
SCHEMBL13514659 0.75 EGFR (0.56) EGFRERBB2LMNA
SCHEMBL13549168 0.74 EGFR (0.52) 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
WO-2010002845-A2 QUINAZOLINE DERIVATIVES HUTCHISON MEDIPHARMA ENTERPRISES LIMITED (BS) 2010-01-07 — — WO disclosed
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