SCHEMBL13587148

SCHEMBL13587148

COc1cc2nccc(Oc3ccc4nc(NC(=O)c5csc(Br)c5OC)sc4c3)c2cc1OC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 3/20 0.62
KDR P35968 14/20 0.55
CYP3A4 P08684 3/20 0.49
CYP2D6 P10635 1/20 0.49
AURKA O14965 2/20 0.48
LCK P06239 2/20 0.48
TEK Q02763 2/20 0.48
AURKB Q96GD4 2/20 0.48
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
MAPT P10636 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CSF1R P07333 1/20 0.47
BRAF P15056 1/20 0.47
FLT1 P17948 1/20 0.47
FGFR2 P21802 1/20 0.47
FLT4 P35916 1/20 0.47
AXL P30530 3/20 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
SCHEMBL13587175 0.90 MET (0.62) METKDRCYP3A4CYP2D6AURKA
SCHEMBL13587143 0.88 MET (0.67) METKDRCYP3A4CYP2D6AURKA
SCHEMBL13587147 0.85 MET (0.64) METKDRAURKALCKTEK
SCHEMBL4370355 0.85 MET (0.73) METKDRCYP3A4CYP2D6AURKA
SCHEMBL13587154 0.83 NPC1 (0.68) METKDRCYP3A4CYP2D6AURKA
SCHEMBL4367742 0.83 MET (0.71) METKDRCYP3A4CYP2D6AURKA
SCHEMBL4379209 0.83 MET (0.70) METKDRMEN1NPC1RAB9A
SCHEMBL4373514 0.83 MET (0.70) METKDRCYP3A4CYP2D6AURKA
SCHEMBL13587164 0.83 MET (0.65) METKDRCYP3A4AURKALCK
SCHEMBL4370568 0.83 MET (0.70) METKDRCYP3A4CYP2D6AURKA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7626030-B2 Compounds and methods of use AMGEN INC. (US) 2009-12-01 US disclosed
US-7626030-B2 Compounds and methods of use AMGEN INC. (US) 2009-12-01 US disclosed