SCHEMBL16612208

SCHEMBL16612208

CCOC(=O)Cn1cc(CBr)nn1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.45
SRC P12931 1/20 0.45
MAPK14 Q16539 1/20 0.43
PKM P14618 1/20 0.42
ATM Q13315 1/20 0.42
HSD17B10 Q99714 1/20 0.42
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
EP300 Q09472 7/20 0.41
FGFR1 P11362 1/20 0.40
FGFR2 P21802 1/20 0.40
FGFR4 P22455 1/20 0.40
FGFR3 P22607 1/20 0.40
KDR P35968 1/20 0.40
GLA P06280 1/20 0.40
ALDH1A1 P00352 2/20 0.39
TRPA1 O75762 1/20 0.39

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
SCHEMBL14788175 0.88 MAPK1 (0.51) MAPK1SRCMAPK14PKMATM
SCHEMBL12847886 0.87 SRC (0.44) MAPK1SRCMAPK14PKMATM
SCHEMBL16612622 0.86 MAPK1 (0.46) MAPK1SRCMAPK14PKMATM
SCHEMBL23069262 0.85 CYP19A1 (0.47) MAPK1SRCMAPK14PKMATM
SCHEMBL15121329 0.85 SRC (0.47) MAPK1SRCMAPK14PKMATM
SCHEMBL16033032 0.82 GGPS1 (0.48) MAPK1SRCEP300
SCHEMBL21063655 0.82 SRC (0.44) MAPK1SRCMAPK14PKMATM
SCHEMBL12792742 0.82 SRC (0.42) MAPK1SRCMAPK14PKMATM
SCHEMBL14104171 0.81 SRC (0.43) MAPK1SRCMAPK14PKMATM
SCHEMBL908777 0.81 MAPK1 (0.50) MAPK1SRCMAPK14PKMATM

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-2857388-A1 Azoles containing sulfone Grünenthal GmbH (DE) 2015-04-08 EP disclosed