SCHEMBL16747656

SCHEMBL16747656

CC(C)(C)NC(=O)c1cnn2ccc(NC(=O)c3ccccc3F)nc12

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 10/20 0.48
NTRK1 P04629 9/20 0.48
TYK2 P29597 2/20 0.45
IRAK4 Q9NWZ3 5/20 0.45
EPHB3 P54753 1/20 0.45
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TP53 P04637 1/20 0.45
GLA P06280 1/20 0.45
GAA P10253 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.45
LMNA P02545 1/20 0.44
JAK1 P23458 1/20 0.43
JAK3 P52333 1/20 0.43

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
SCHEMBL400290 0.82 NTRK1 (0.46) JAK2NTRK1TYK2IRAK4LMNA
SCHEMBL403308 0.77 JAK2 (0.44) JAK2NTRK1IRAK4LMNA
SCHEMBL406387 0.77 LMNA (0.44) JAK2NTRK1TYK2IRAK4KDM4E
SCHEMBL406662 0.77 NTRK1 (0.45) JAK2NTRK1IRAK4LMNA
SCHEMBL405635 0.76 NTRK1 (0.56) JAK2NTRK1TYK2
SCHEMBL402374 0.76 TGFBR1 (0.49) JAK2NTRK1TYK2IRAK4LMNA
SCHEMBL15428578 0.76 NTRK1 (0.45) JAK2NTRK1TYK2EPHB3LMNA
SCHEMBL402213 0.75 NTRK1 (0.43) JAK2NTRK1IRAK4KDM4EHSD17B10
SCHEMBL406643 0.75 NTRK1 (0.56) JAK2NTRK1
SCHEMBL401376 0.75 JAK2 (0.42) JAK2NTRK1TYK2IRAK4LMNA

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
EP-2348860-B1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH INC (US) 2015-05-27 EP disclosed