SCHEMBL4312554

SCHEMBL4312554

O=C(Nc1cccc(CCNc2cncc(-c3ccc(CO)cc3)n2)c1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 4/20 0.51
CSF1R P07333 1/20 0.48
AURKB Q96GD4 1/20 0.46
KCNK3 O14649 2/20 0.46
KCNK9 Q9NPC2 1/20 0.46
MAPT P10636 4/20 0.45
NPSR1 Q6W5P4 3/20 0.45
KDM4E B2RXH2 2/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
TSHR P16473 2/20 0.45
POLB P06746 1/20 0.45
LMNA P02545 2/20 0.44
RXFP1 Q9HBX9 2/20 0.44
AURKA O14965 1/20 0.44
ALOX15 P16050 1/20 0.44
CASP1 P29466 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HTT P42858 2/20 0.44
PTGS1 P23219 1/20 0.44

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
SCHEMBL4311120 0.86 BRAF (0.52) BRAFLMNARAB9AALDH1A1RAF1
SCHEMBL4318196 0.84 CSF1R (0.66) CSF1RAURKBKCNK3KCNK9MAPT
SCHEMBL3475138 0.84 CSF1R (0.71) CSF1RKCNK3KCNK9MEN1KMT2A
SCHEMBL3475141 0.84 CSF1R (0.71) CSF1RKCNK3KCNK9MEN1KMT2A
SCHEMBL17937457 0.83 CSF1R (0.47) BRAFCSF1RKCNK3KCNK9MAPT
SCHEMBL13340396 0.78 CSF1R (0.70) CSF1RKCNK3KCNK9MEN1KMT2A
SCHEMBL13340329 0.75 CSF1R (0.66) CSF1RKCNK3KCNK9MAPTNPSR1
SCHEMBL17954640 0.73 CSF1R (0.73) CSF1RPTGS1DDR1
SCHEMBL4323640 0.72 CSF1R (0.66) BRAFCSF1RKCNK3KCNK9MEN1
SCHEMBL28024743 0.72 MAPT (0.76) KCNK3KCNK9MAPTNPSR1MEN1

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
EP-2099774-A1 INHIBITORS OF KINASE ACTIVITY Cytopia Research Pty Ltd (AU) 2009-09-16 EP disclosed
WO-2008058341-A1 INHIBITORS OF KINASE ACTIVITY CYTOPIA RESEARCH PTY LTD (AU) 2008-05-22 WO disclosed