SCHEMBL3360039

SCHEMBL3360039

O=C(Nc1ccc(OC(F)(F)F)cc1)c1sccc1NCc1ccncc1

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDR P35968 15/20 0.70
FLT1 P17948 13/20 0.67
RAF1 P04049 1/20 0.66
LCK P06239 1/20 0.66
RET P07949 1/20 0.66
CYP3A4 P08684 1/20 0.66
KIT P10721 1/20 0.66
MAP3K20 Q9NYL2 1/20 0.66
RIPK3 Q9Y572 1/20 0.66
NAMPT P43490 4/20 0.59

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
SCHEMBL3361283 0.85 KDR (0.63) KDRFLT1RAF1LCKRET
SCHEMBL3363670 0.84 BRAF (0.67) KDRFLT1RAF1LCKRET
SCHEMBL429443 0.82 KDR (1.00) KDRFLT1KITNAMPT
SCHEMBL426401 0.82 KDR (0.78) KDRFLT1RAF1LCKRET
SCHEMBL4980248 0.81 KDR (0.74) KDRFLT1KITNAMPT
SCHEMBL4018411 0.80 L3MBTL1 (0.58) KDRFLT1RAF1LCKRET
Osi-930 SCHEMBL29352171 0.80 KDR (1.00) KDRFLT1RAF1LCKRET
Osi-930 SCHEMBL633719 0.80 KDR (1.00) KDRFLT1RAF1LCKRET
SCHEMBL1819542 0.78 KDR (0.67) KDRFLT1RAF1LCKRET
SCHEMBL633813 0.78 KDR (0.75) KDRFLT1RAF1LCKRET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010088000-A2 ANTIFIBROTIC COMPOUNDS AND USES THEREOF ANGION BIOMEDICA CORP. (US) 2010-08-05 WO claimed
WO-2010088000-A2 ANTIFIBROTIC COMPOUNDS AND USES THEREOF ANGION BIOMEDICA CORP. (US) 2010-08-05 WO disclosed