SCHEMBL3989617

SCHEMBL3989617

CNC(=O)c1cc(Oc2cccc(CCNC(=O)c3ccc(OC)c(OC)c3OC)c2)ccn1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.47
BRAF P15056 2/20 0.47
CSF1R P07333 1/20 0.47
RAF1 P04049 2/20 0.47
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
DDR2 Q16832 1/20 0.44
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
CASR P41180 1/20 0.42
POLB P06746 2/20 0.42
ALDH1A1 P00352 3/20 0.42
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL3991259 0.94 BRAF (0.48) KDRBRAFCSF1RRAF1NPC1
SCHEMBL14266573 0.88 CSF1R (0.54) KDRBRAFCSF1RRAF1NPC1
SCHEMBL14266603 0.88 CSF1R (0.49) KDRBRAFCSF1RRAF1NPC1
SCHEMBL14266579 0.88 CSF1R (0.49) KDRBRAFCSF1RRAF1NPC1
SCHEMBL14266611 0.87 BRAF (0.55) KDRBRAFCSF1RRAF1NPC1
SCHEMBL14266542 0.87 DDR2 (0.51) KDRBRAFCSF1RRAF1NPC1
SCHEMBL5128896 0.87 DNMT3A (0.54) KDRBRAFCSF1RRAF1DDR2
SCHEMBL5115902 0.86 CSF1R (0.48) KDRBRAFCSF1RRAF1DDR2
SCHEMBL5123391 0.86 RAF1 (0.53) KDRBRAFCSF1RRAF1KMT2A
SCHEMBL14266595 0.85 RAB9A (0.58) KDRBRAFCSF1RRAF1NPC1

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-2061761-A1 PHENETHYLAMIDE DERIVATIVES WITH KINASE INHIBITORY ACTIVITY Millennium Pharmaceuticals, Inc. (US) 2009-05-27 EP disclosed
WO-2008030448-A1 PHENETHYLAMIDE DERIVATIVES WITH KINASE INHIBITORY ACTIVITY MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-03-13 WO disclosed