SCHEMBL4551773

SCHEMBL4551773

Cc1ncc(NC(=O)c2cc(F)cc(N3CCCCC3)c2)cc1C(=O)Nc1ccc(NC2CCOCC2)nc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.45
KCNQ3 O43525 1/20 0.44
KCNQ2 O43526 1/20 0.44
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
TP53 P04637 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RAF1 P04049 3/20 0.42
BRAF P15056 3/20 0.42
MAPT P10636 1/20 0.42
PDE4B Q07343 1/20 0.41
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
LCK P06239 1/20 0.41
KDR P35968 1/20 0.41
TEK Q02763 1/20 0.41

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
SCHEMBL14534694 0.99 MAPK14 (0.45) MAPK14KCNQ3KCNQ2NPC1RAB9A
SCHEMBL4551616 0.95 MAPK14 (0.49) MAPK14KCNQ3KCNQ2RAF1BRAF
SCHEMBL4552138 0.94 KCNQ3 (0.50) MAPK14KCNQ3KCNQ2NPC1RAB9A
SCHEMBL4552127 0.94 KCNQ3 (0.51) MAPK14KCNQ3KCNQ2NPC1RAB9A
SCHEMBL14534471 0.93 MAPK14 (0.50) MAPK14KCNQ3KCNQ2RAF1BRAF
SCHEMBL4551772 0.91 PDE4B (0.43) MAPK14KCNQ3KCNQ2NPC1RAB9A
SCHEMBL4551651 0.89 CRHR1 (0.45) MAPK14NPC1RAB9ATP53ALOX15
SCHEMBL5490935 0.89 CRHR1 (0.45) MAPK14RAF1BRAFMAPK13MAPK12
SCHEMBL4551889 0.87 MAPK14 (0.39) MAPK14RAF1BRAFMAPK13MAPK12
SCHEMBL4551615 0.86 PDE4B (0.45) MAPK14KCNQ3KCNQ2RAB9AMAPK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2035005-A2 THERAPY USING CYTOKINE INHIBITORS Kemia, INC. (US) 2009-03-18 EP disclosed
WO-2007146712-A2 THERAPY USING CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-12-21 WO disclosed
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