SCHEMBL5495529

SCHEMBL5495529

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.39
SMO Q99835 1/20 0.39
PLAU P00749 1/20 0.35
RAB9A P51151 3/20 0.35
NPC1 O15118 2/20 0.35
TP53 P04637 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 2/20 0.35
TSHR P16473 2/20 0.35
ALOX15 P16050 2/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
ALDH1A1 P00352 1/20 0.34
RAF1 P04049 4/20 0.34
BRAF P15056 3/20 0.34
MAPK13 O15264 1/20 0.34
MAPK12 P53778 1/20 0.34
MAPK11 Q15759 1/20 0.34
LCK P06239 1/20 0.34
KDR P35968 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
SCHEMBL4551763 0.99 MAPK14 (0.39) MAPK14SMOPLAURAB9ANPC1
SCHEMBL4416933 0.93 MAPK14 (0.43) MAPK14PLAURAF1BRAFMAPK13
SCHEMBL5490107 0.92 MAPK14 (0.39) MAPK14SMORAB9ANPC1TP53
SCHEMBL5495528 0.90 RPS6KA3 (0.35)
SCHEMBL5490030 0.90 CRHR1 (0.42) MAPK14SMORAB9ANPC1TP53
SCHEMBL4551762 0.89 RPS6KA3 (0.35)
SCHEMBL5494098 0.89 CRHR1 (0.42) MAPK14SMOPLAURAB9ANPC1
SCHEMBL4541434 0.87 MAPK14 (0.43) MAPK14SMORAB9ANPC1TP53
SCHEMBL4551537 0.87 MAPK14 (0.39) MAPK14SMOPLAURAF1BRAF
SCHEMBL4552351 0.86 MAPK14 (0.44) MAPK14SMOPLAURAB9ANPC1

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