SCHEMBL13680219

SCHEMBL13680219

COc1cc2c(Oc3cccc(N)c3)ncnc2cc1OCC1CCNCC1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 3/20 0.60
EGFR P00533 10/20 0.53
KDR P35968 7/20 0.53
RET P07949 1/20 0.53
KIF5B P33176 1/20 0.53
LCK P06239 1/20 0.53
FLT4 P35916 5/20 0.51
FGFR1 P11362 4/20 0.51
FLT1 P17948 4/20 0.51
AXL P30530 1/20 0.50
TYRO3 Q06418 1/20 0.50
MERTK Q12866 1/20 0.50
KIT P10721 1/20 0.50
CSF1R P07333 1/20 0.48
PDGFRB P09619 1/20 0.48
FLT3 P36888 1/20 0.48
BRAF P15056 1/20 0.47

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
SCHEMBL2744934 0.85 EGFR (0.57) RAF1EGFRKDRFLT4FGFR1
SCHEMBL1012448 0.84 KDR (0.73) RAF1EGFRKDRRETKIF5B
SCHEMBL5143476 0.84 EGFR (0.56) RAF1EGFRKDRRETKIF5B
SCHEMBL5571167 0.82 TRPA1 (0.57) RAF1EGFRKDRFLT4FGFR1
SCHEMBL1011750 0.82 KDR (0.64) RAF1EGFRKDRRETKIF5B
SCHEMBL1011699 0.82 KDR (0.64) RAF1EGFRKDRRETKIF5B
SCHEMBL18676495 0.82 RAF1 (0.60) RAF1EGFRKDRRETKIF5B
SCHEMBL24010114 0.81 KDR (0.58) RAF1EGFRKDRLCKFLT4
SCHEMBL666478 0.80 RAF1 (0.52) RAF1EGFRKDRRETKIF5B
SCHEMBL665297 0.80 RAF1 (0.52) RAF1EGFRKDRRETLCK

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