SCHEMBL4551359

SCHEMBL4551359

COc1cc2ncnc(N[C@H]3CCN(C4(CS(=O)(=O)c5ccccc5)CCC(NCC(C)C)CC4)C3=O)c2cc1OC

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.47
EGFR P00533 14/20 0.44
LRRK2 Q5S007 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
ERBB2 P04626 2/20 0.39
LCK P06239 1/20 0.39
KRAS P01116 1/20 0.39
SOS1 Q07889 1/20 0.39
MAPK1 P28482 1/20 0.38
ACHE P22303 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38

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
SCHEMBL4424140 0.89 IRAK4 (0.41) IRAK4
SCHEMBL4417401 0.89 IRAK4 (0.39) IRAK4
SCHEMBL5030716 0.89 NSD2 (0.46) NSD2EGFRLRRK2KDM4ELMNA
SCHEMBL4426067 0.89 CNR1 (0.40) NSD2KDM4E
SCHEMBL4418746 0.87 CCR2 (0.49) IRAK4
SCHEMBL4417824 0.85 FFAR2 (0.33)
SCHEMBL4424128 0.84 CCR2 (0.35) NSD2
SCHEMBL4422907 0.83 PIK3CD (0.44) EGFRKDM4ELMNAHPGD
SCHEMBL4417546 0.83 CCR2 (0.32)
SCHEMBL4426062 0.81 CCR2 (0.37)

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
EP-1606255-B1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2009-11-11 EP claimed