SCHEMBL4411272

SCHEMBL4411272

Cc1ccc(NC(=O)c2cc(F)cc(N3CCCCC3)c2)cc1-c1cc(C(=O)NCc2cccnc2)on1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.46
MAPK13 O15264 1/20 0.46
MAPK12 P53778 1/20 0.46
MAPK11 Q15759 1/20 0.46
SMO Q99835 1/20 0.46
RAF1 P04049 2/20 0.46
BRAF P15056 2/20 0.46
DHODH Q02127 1/20 0.44
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
GFER P55789 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TEK Q02763 1/20 0.42
NAMPT P43490 4/20 0.41
TSHR P16473 1/20 0.40

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
SCHEMBL4410223 0.99 MAPK14 (0.47) MAPK14MAPK13MAPK12MAPK11SMO
SCHEMBL4551494 0.95 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL5603999 0.94 MAPK14 (0.53) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL4412830 0.91 RAF1 (0.52) MAPK14RAF1BRAFTEK
SCHEMBL4419873 0.90 RAF1 (0.52) MAPK14RAF1BRAFTEK
SCHEMBL4416214 0.90 MAPK14 (0.43) MAPK14RAF1BRAFDHODHNPC1
SCHEMBL4410769 0.90 NAMPT (0.42) MAPK14MAPK13MAPK12MAPK11SMO
SCHEMBL4418552 0.89 MAPK14 (0.44) MAPK14RAF1BRAFDHODHNPC1
SCHEMBL4414281 0.86 MAPK14 (0.58) MAPK14SMORAF1BRAFNPC1
SCHEMBL4541475 0.86 RAF1 (0.56) MAPK14RAF1BRAF

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 3 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-2007075896-A2 HETEROCYCLIC CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-07-05 WO disclosed