SCHEMBL680593

SCHEMBL680593

Nc1ccc(Oc2cc3cn(C4CCCCO4)nc3cc2N2CCOCC2)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.37
GAA P10253 2/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
ATR Q13535 9/20 0.32
FLT3 P36888 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
EHMT2 Q96KQ7 1/20 0.31
EHMT1 Q9H9B1 1/20 0.31
RAF1 P04049 1/20 0.31
BRAF P15056 1/20 0.31
CYP3A4 P08684 1/20 0.30

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
SCHEMBL679311 0.89 ATR (0.37) AXLATRBRAF
SCHEMBL679312 0.89 ATR (0.37) AXLATRBRAF
SCHEMBL680569 0.88 LATS1 (0.33) AXL
SCHEMBL680364 0.87 KDM4E (0.35) AXLKDM4ENPC1RAB9A
SCHEMBL680525 0.85 SCN9A (0.32) AXLSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL679716 0.76 ATR (0.36) GAAMAPTSMN1; SMN2ATRALDH1A1
SCHEMBL680888 0.76 ATR (0.36) GAAMAPTSMN1; SMN2ATRALDH1A1
SCHEMBL679194 0.76 RAB9A (0.32) MAPTALDH1A1NPSR1RAB9A
SCHEMBL680000 0.74 ALDH1A1 (0.41) GAAMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL31600834 0.71 ABL1 (0.35) GAAMAPTALDH1A1

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-2310382-B1 AMIDOPHENOXYINDAZOLES USEFUL AS INHIBITORS OF C-MET LILLY CO ELI (US) 2012-02-22 EP disclosed