SCHEMBL626737

SCHEMBL626737

CCNC(C)Cc1ccc(Nc2cc(Cl)nn(C)c2=O)nc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.34
SLC6A4 P31645 3/20 0.34
SYK P43405 1/20 0.33
BTK Q06187 3/20 0.32
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
ADRA2C P18825 1/20 0.31
HTR2A P28223 1/20 0.31
ADRA1A P35348 1/20 0.31
DRD3 P35462 1/20 0.31
OPRK1 P41145 1/20 0.31
HTR2B P41595 1/20 0.31
BRD4 O60885 1/20 0.31
BPTF Q12830 1/20 0.31
BRAF P15056 1/20 0.31
SLC16A1 P53985 1/20 0.30
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
TYK2 P29597 1/20 0.30
JAK3 P52333 1/20 0.30

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
SCHEMBL10255882 0.81 BTK (0.36) SYKBTKLMNABRD4BPTF
SCHEMBL10255979 0.80 BTK (0.40) SYKBTKBRD4BPTFBRAF
SCHEMBL10255810 0.78 BRAF (0.32) SYKBTKBRD4BPTFBRAF
SCHEMBL609133 0.77 BRAF (0.41) BTKLMNAMAPTBRAF
SCHEMBL28382231 0.76 BRAF (0.34) SYKBTKBRD4BPTFBRAF
SCHEMBL609018 0.76 BTK (0.47) BTK
SCHEMBL611318 0.74 BTK (0.33) SYKBTKBRAF
SCHEMBL28382233 0.73 P2RX3 (0.35) BTKBRAF
SCHEMBL609443 0.73 HCAR3 (0.48)
SCHEMBL608744 0.73 F10 (0.45) BTKBPTFBRAF

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-2603500-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F.HOFFMANN-LA ROCHE AG (CH) 2013-06-19 EP disclosed
WO-2012020008-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2012-02-16 WO disclosed