SCHEMBL4544150

SCHEMBL4544150

Cc1ccc(Nc2cc(F)cc(N3CCOCC3)c2)cc1-c1cc(C(=O)NCC2CCOCC2)[nH]n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.44
MAPK14 Q16539 5/20 0.44
MAPK13 O15264 1/20 0.44
HSPB1 P04792 1/20 0.44
MAPK12 P53778 1/20 0.44
MAPK11 Q15759 1/20 0.44
RAF1 P04049 3/20 0.42
BRAF P15056 3/20 0.42
SYK P43405 2/20 0.42
CNR2 P34972 3/20 0.40
PLAU P00749 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 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
SCHEMBL4544153 0.89 RAF1 (0.55) MAPK14MAPK13HSPB1MAPK12MAPK11
SCHEMBL4541536 0.87 BRAF (0.43) MAPK14RAF1BRAFCNR2PLAU
SCHEMBL14473262 0.85 RAF1 (0.54) MAPK14MAPK13HSPB1MAPK12MAPK11
SCHEMBL14473260 0.80 RAF1 (0.53) MAPK14MAPK13HSPB1MAPK12MAPK11
SCHEMBL5603871 0.77 BRAF (0.41) RAF1BRAFPLAU
SCHEMBL4541538 0.77 RAF1 (0.56) MAPK14RAF1BRAF
SCHEMBL5593458 0.76 BRAF (0.61) MAPK14RAF1BRAF
SCHEMBL4566569 0.75 RAF1 (0.55) MAPK14MAPK13HSPB1MAPK12MAPK11
SCHEMBL4551381 0.75 RAB9A (0.53) RAF1BRAFPLAUCYP1A2CYP2C19
SCHEMBL4541525 0.75 ACKR3 (0.44) MAPK14RAF1BRAFPLAU

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
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