SCHEMBL17284255

SCHEMBL17284255

NCC(=O)c1cc(Cl)ccc1OC(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
HSD17B10 Q99714 1/20 0.42
LMNA P02545 4/20 0.42
POLB P06746 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
TSHR P16473 2/20 0.40
LCLAT1 Q6UWP7 1/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
JAK3 P52333 1/20 0.40
LRRK2 Q5S007 1/20 0.40
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 4/20 0.39
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
F11 P03951 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL17282253 0.85 MAPT (0.44) MAPTKMT2AMEN1HSD17B10LMNA
Hydrochloric Acid SCHEMBL3045694 0.84 CSNK2A1 (0.47) KMT2ALMNATSHRMAPK1ALDH1A1
SCHEMBL12505436 0.83 ALDH1A1 (0.46) MAPTKMT2AMEN1HSD17B10LMNA
SCHEMBL15771601 0.82 MAPT (0.43) MAPTKMT2AMEN1HSD17B10LMNA
SCHEMBL30843149 0.82 ALDH1A1 (0.57) MAPTKMT2AMEN1HSD17B10LMNA
SCHEMBL3388103 0.81 TSHR (0.53) MAPTKMT2AMEN1HSD17B10LMNA
SCHEMBL29488334 0.81 TSHR (0.53) MAPTKMT2AMEN1HSD17B10LMNA
SCHEMBL17282266 0.80 KMT2A (0.50) MAPTKMT2AMEN1HSD17B10LMNA
Hydrochloric Acid SCHEMBL3054376 0.78 LMNA (0.57) MAPTKMT2AMEN1LMNATSHR
SCHEMBL14692447 0.77 TSHR (0.46) MAPTKMT2AMEN1HSD17B10LMNA

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-2015177326-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS WHICH ARE JAK INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2015-11-26 WO disclosed