SCHEMBL4426062

SCHEMBL4426062

CC(C)CNC1CCC(CS(=O)(=O)c2ccccc2)(N2CC[C@H](Nc3ncnc4cnc(C(C)(C)C)nc34)C2=O)CC1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.37
CCR5 P51681 1/20 0.37
PIK3CD O00329 1/20 0.32
PIK3R1 P27986 1/20 0.32
PIK3CA P42336 1/20 0.32

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
SCHEMBL5029431 0.89 CCR2 (0.37) CCR2CCR5PIK3CDPIK3R1PIK3CA
SCHEMBL4417546 0.84 CCR2 (0.32) CCR2CCR5
SCHEMBL4424140 0.82 IRAK4 (0.41) CCR2
SCHEMBL4426067 0.81 CNR1 (0.40) CCR2CCR5
SCHEMBL4551359 0.81 NSD2 (0.47)
SCHEMBL4417401 0.81 IRAK4 (0.39) CCR2CCR5
SCHEMBL4418746 0.81 CCR2 (0.49) CCR2CCR5
SCHEMBL4427802 0.81 F10 (0.34) CCR2CCR5
SCHEMBL4417824 0.80 FFAR2 (0.33) CCR2CCR5
SCHEMBL4419993 0.80

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