SCHEMBL5593016

SCHEMBL5593016

Cc1ccc(NC(=O)c2cc(C#N)cc(C(C)(C)C)c2)cc1-c1cc(C(=O)NCc2cccnc2)on1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEK Q02763 6/20 0.53
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
HTT P42858 1/20 0.44
BRAF P15056 2/20 0.43
NAMPT P43490 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
ALOX12 P18054 1/20 0.41
DDR1 Q08345 1/20 0.41
DDR2 Q16832 1/20 0.41
KCNJ1 P48048 1/20 0.41
NPC1 O15118 1/20 0.41
MAPK1 P28482 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
SCHEMBL4420790 0.88 MEN1 (0.55) TEKMEN1KMT2AALDH1A1LMNA
SCHEMBL5604132 0.87 TEK (0.45) TEKALDH1A1HTTBRAFSMN1; SMN2
SCHEMBL4417829 0.86 TEK (0.45) TEKBRAF
SCHEMBL4418552 0.86 MAPK14 (0.44) TEKMEN1KMT2AALDH1A1MAPT
SCHEMBL4408316 0.85 MAPK14 (0.49) BRAFNAMPTSMN1; SMN2
SCHEMBL4416214 0.85 MAPK14 (0.43) TEKMEN1KMT2AALDH1A1LMNA
SCHEMBL4410250 0.84 TEK (0.51) TEKMEN1KMT2AALDH1A1LMNA
SCHEMBL4412491 0.84 TEK (0.57) TEKMEN1KMT2AALDH1A1LMNA
SCHEMBL4410129 0.84 MEN1 (0.44) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL14473151 0.83 TEK (0.52) TEKMEN1KMT2ALMNABRAF

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

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