SCHEMBL5490107

SCHEMBL5490107

CON(C(=O)c1cc(NC(=O)c2cc(F)cc(N3CCCCC3)c2)cnc1C)c1ccc(NC(C)C)nc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.39
SMO Q99835 1/20 0.39
RAB9A P51151 5/20 0.36
MAPT P10636 5/20 0.36
NPC1 O15118 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
TP53 P04637 2/20 0.36
TSHR P16473 2/20 0.36
ALOX15 P16050 2/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
GFER P55789 1/20 0.36
ALDH1A1 P00352 2/20 0.36
LCK P06239 1/20 0.35
KDR P35968 1/20 0.35
TEK Q02763 1/20 0.35
BRAF P15056 3/20 0.35
RAF1 P04049 2/20 0.35
GAA P10253 1/20 0.35
MEN1 O00255 1/20 0.34

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
SCHEMBL5488042 0.94 MAPK14 (0.44) MAPK14BRAFRAF1
SCHEMBL5495529 0.92 MAPK14 (0.39) MAPK14SMORAB9AMAPTNPC1
SCHEMBL4551763 0.91 MAPK14 (0.39) MAPK14SMORAB9AMAPTNPC1
SCHEMBL5490098 0.89 MAPT (0.32) MAPK14RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL5490030 0.88 CRHR1 (0.42) MAPK14SMORAB9AMAPTNPC1
SCHEMBL4551889 0.87 MAPK14 (0.39) MAPK14SMOBRAFRAF1
SCHEMBL5494098 0.87 CRHR1 (0.42) MAPK14SMORAB9AMAPTNPC1
SCHEMBL4543576 0.86 RAB9A (0.44) MAPK14SMORAB9AMAPTNPC1
SCHEMBL4551537 0.85 MAPK14 (0.39) MAPK14SMOBRAFRAF1
SCHEMBL4541488 0.85 MAPK14 (0.44) MAPK14SMORAB9AMAPTNPC1

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
WO-2007056016-A2 BISAMIDE CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-05-18 WO disclosed
WO-2007056016-A2 BISAMIDE CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-05-18 WO disclosed