SCHEMBL3841208

SCHEMBL3841208

NCc1ccc(Cl)cc1-c1ncc(Cc2cn(S(=O)(=O)c3ccccc3)c3ncc(Cl)cc23)cn1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 14/20 0.40
BRD4 O60885 2/20 0.35
CCNE1 P24864 2/20 0.33
CDK2 P24941 2/20 0.33
HTR1A P08908 1/20 0.32
DRD2 P14416 1/20 0.32
HTR2A P28223 1/20 0.32
HTR7 P34969 1/20 0.32
KCNH2 Q12809 1/20 0.32
EPHX2 P34913 1/20 0.32
ALK Q9UM73 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
SCHEMBL12675766 0.84 HTR6 (0.39) HTR6BRD4CCNE1CDK2HTR1A
SCHEMBL1267361 0.80 HTR6 (0.40) HTR6BRD4CCNE1CDK2HTR1A
SCHEMBL1266811 0.80 BRD4 (0.40) HTR6BRD4CCNE1CDK2HTR1A
SCHEMBL3828152 0.79 HTR6 (0.40) HTR6BRD4CCNE1CDK2HTR1A
SCHEMBL4512514 0.79 MAPT (0.43) HTR6BRD4CCNE1CDK2
SCHEMBL3947254 0.78 HTR6 (0.39) HTR6BRD4CCNE1CDK2HTR1A
SCHEMBL21294221 0.74 BRD4 (0.39) HTR6BRD4CCNE1CDK2HTR1A
SCHEMBL28108723 0.73 HTR6 (0.39) HTR6BRD4CCNE1CDK2HTR1A
SCHEMBL2540266 0.73 CYP3A4 (0.42) HTR6BRD4CCNE1CDK2DRD2
SCHEMBL1266828 0.72 HTR6 (0.38) HTR6BRD4CCNE1CDK2HTR1A

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-2086972-A2 COMPOUNDS MODULATING C-FMS AND/OR C-KIT ACTIVITY AND USES THEREFOR PLEXXIKON, INC. (US) 2009-08-12 EP disclosed
WO-2008064255-A2 COMPOUNDS MODULATING C-FMS AND/OR C-KIT ACTIVITY AND USES THEREFOR PLEXXIKON, INC. (US) 2008-05-29 WO disclosed