SCHEMBL19258467

SCHEMBL19258467

COc1cc2c(Oc3ccccc3)ncnc2cc1OCCN1CCN(CCO)CC1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AURKA O14965 3/20 0.62
RAF1 P04049 9/20 0.61
BRAF P15056 9/20 0.61
FLT4 P35916 7/20 0.57
KDR P35968 7/20 0.57
PDGFRB P09619 4/20 0.57
TEK Q02763 2/20 0.57
AURKB Q96GD4 2/20 0.57
CSF1R P07333 3/20 0.56
FLT3 P36888 2/20 0.56
FLT1 P17948 3/20 0.54
RET P07949 1/20 0.53
KIF5B P33176 1/20 0.53

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
SCHEMBL19258108 0.95 KDR (0.63) AURKARAF1BRAFFLT4KDR
SCHEMBL7211076 0.92 KDR (0.66) AURKARAF1BRAFFLT4KDR
SCHEMBL5501376 0.91 KDR (0.66) AURKARAF1BRAFFLT4KDR
SCHEMBL4377465 0.90 KDR (0.65) AURKARAF1BRAFFLT4KDR
SCHEMBL13680220 0.90 RAF1 (0.62) AURKARAF1BRAFFLT4KDR
SCHEMBL7209612 0.88 EGFR (0.62) AURKARAF1BRAFFLT4KDR
SCHEMBL7209933 0.88 AURKA (0.59) AURKARAF1BRAFFLT4KDR
SCHEMBL19258107 0.87 KDR (0.73) AURKARAF1BRAFFLT4KDR
SCHEMBL19258207 0.84 RAF1 (0.64) AURKARAF1BRAFFLT4KDR
SCHEMBL17278101 0.83 SRC (0.66) AURKARAF1BRAFFLT4KDR

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
US-9730937-B2 RAF kinase modulator compounds and methods of use thereof AMBIT BIOSCIENCES CORPORATION (US) 2017-08-15 US disclosed