SCHEMBL13680209

SCHEMBL13680209

C=C1CCN(CCOc2cc3ncnc(Sc4cccc(N)c4)c3cc2OC)CC1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.52
KIF5B P33176 1/20 0.52
KDR P35968 1/20 0.52
EGFR P00533 1/20 0.52
LCK P06239 1/20 0.52
RAF1 P04049 17/20 0.52
BRAF P15056 17/20 0.52

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
SCHEMBL19916608 0.91 RAF1 (0.60) RETKIF5BKDREGFRLCK
SCHEMBL19258530 0.91 RAF1 (0.60) RETKIF5BKDREGFRLCK
SCHEMBL13680228 0.90 BRAF (0.62) RETKIF5BKDREGFRLCK
SCHEMBL16692921 0.90 BRAF (0.54) RETKIF5BKDREGFRLCK
SCHEMBL16692928 0.87 BRAF (0.56) RETKIF5BKDREGFRLCK
SCHEMBL13680227 0.86 BRAF (0.64) RETKIF5BKDREGFRLCK
SCHEMBL16692912 0.85 KDM1A (0.66) KDREGFRRAF1BRAF
SCHEMBL1013319 0.83 KDM1A (0.67) RETKIF5BKDREGFRLCK
SCHEMBL1012180 0.83 KDR (0.73) RETKIF5BKDREGFRLCK
SCHEMBL1011934 0.82 EGFR (0.64) RETKIF5BKDREGFRLCK

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-2009117080-A1 QUINAZOLINE DERIVATIVES AS RAF KINASE MODULATORS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATON (US) 2009-09-24 WO disclosed