SCHEMBL19414399

SCHEMBL19414399

CC(C)C(=O)Nc1ccc(-c2n[nH]c3ncnc(N)c23)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 4/20 0.44
LIMK1 P53667 5/20 0.44
ROCK2 O75116 5/20 0.44
KDR P35968 5/20 0.43
KIT P10721 3/20 0.43
ROCK1 Q13464 2/20 0.42
RIPK1 Q13546 1/20 0.42
NEK7 Q8TDX7 7/20 0.41
ABL1 P00519 3/20 0.41
SRC P12931 3/20 0.41
PIK3CD O00329 2/20 0.41
EGFR P00533 2/20 0.41
HCK P08631 2/20 0.41
PIK3CA P42336 2/20 0.41
PIK3CB P42338 2/20 0.41
MTOR P42345 2/20 0.41
PIK3CG P48736 2/20 0.41
EPHB4 P54760 2/20 0.41
PRKDC P78527 2/20 0.41
PI4KB Q9UBF8 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
SCHEMBL13829837 0.88 FLT3 (0.44) FLT3LIMK1ROCK2KDRKIT
SCHEMBL13829654 0.82 LRRK2 (0.44) PIK3CAMTORPIK3CGSTK3
SCHEMBL13828400 0.81 RIPK1 (0.62) KDRRIPK1ABL1SRCPIK3CD
SCHEMBL20793723 0.79 FAAH (0.40) FLT3ROCK2KDRKITROCK1
SCHEMBL9010 0.77 PIK3CG (0.54) KDRRIPK1ABL1SRCPIK3CD
SCHEMBL13717800 0.76 CSNK1E (0.45) KDRABL1SRCPIK3CDEGFR
SCHEMBL24096531 0.75 NEK7 (0.65) FLT3NEK7
SCHEMBL30320596 0.75 NEK7 (0.65) FLT3NEK7
SCHEMBL11928101 0.74 PIK3CD (0.56) KDRABL1SRCPIK3CDEGFR
SCHEMBL24096483 0.74 NEK7 (0.66) FLT3NEK7

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
US-9775841-B2 Compounds as modulators of protein kinases RHIZEN PHARMACEUTICALS SA (CH) 2017-10-03 US disclosed