SCHEMBL3395765

SCHEMBL3395765

O=C(Nc1ccc(OC(F)(F)F)cc1)c1sccc1NCc1c[nH]c2ncccc12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.71
RAF1 P04049 1/20 0.71
LCK P06239 1/20 0.71
RET P07949 1/20 0.71
CYP3A4 P08684 1/20 0.71
KIT P10721 1/20 0.71
MAP3K20 Q9NYL2 1/20 0.71
RIPK3 Q9Y572 1/20 0.71
NTRK1 P04629 3/20 0.58
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
PTBP1 P26599 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
FLT1 P17948 2/20 0.43
GOT1 P17174 1/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ABL1 P00519 4/20 0.42

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
SCHEMBL633813 0.87 KDR (0.75) KDRRAF1LCKRETCYP3A4
SCHEMBL633872 0.86 KDR (0.59) KDRRAF1LCKRETCYP3A4
Osi-930 SCHEMBL633719 0.83 KDR (1.00) KDRRAF1LCKRETCYP3A4
Osi-930 SCHEMBL29352171 0.83 KDR (1.00) KDRRAF1LCKRETCYP3A4
SCHEMBL1819542 0.82 KDR (0.67) KDRRAF1LCKRETCYP3A4
SCHEMBL633692 0.79 KDR (0.45) KDRRAF1LCKRETCYP3A4
SCHEMBL635166 0.79 KIT (0.55) KDRRAF1LCKRETCYP3A4
SCHEMBL5266238 0.79 KDR (0.76) KDRRAF1LCKRETCYP3A4
SCHEMBL27615043 0.79 KDR (0.44) KDRRAF1LCKRETCYP3A4
SCHEMBL3360039 0.78 KDR (0.70) KDRRAF1LCKRETCYP3A4

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