SCHEMBL14465950

SCHEMBL14465950

O=C1COc2cc(Nc3ncc(-c4ccc(OC(F)(F)F)cc4)o3)ccc2N1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.48
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
CYP11B1 P15538 2/20 0.40
CYP11B2 P19099 2/20 0.40
TNIK Q9UKE5 1/20 0.40
SYK P43405 2/20 0.39
ROCK1 Q13464 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP19A1 P11511 1/20 0.38
CYP2C9 P11712 1/20 0.38
KDR P35968 1/20 0.38
IMPDH2 P12268 1/20 0.38
SMO Q99835 1/20 0.38
TP53 P04637 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL5316750 0.86 KIF11 (0.48) KIF11GABRG2GABRB3GABRA5CYP11B1
SCHEMBL5316958 0.84 VCP (0.52) KIF11GABRG2GABRB3GABRA5CYP11B1
SCHEMBL5318196 0.84 KDR (0.52) KIF11GABRG2GABRB3GABRA5CYP11B1
SCHEMBL5341998 0.81 PKM (0.47) KIF11GABRG2GABRB3GABRA5CYP11B1
SCHEMBL5338297 0.80 SYK (0.54) KIF11GABRG2GABRB3GABRA5CYP11B1
SCHEMBL5334965 0.80 VCP (0.57) KIF11GABRG2GABRB3GABRA5CYP11B1
SCHEMBL5319534 0.77 VCP (0.52) SYKMEN1ALDH1A1GAAMAPT
SCHEMBL5318237 0.77 SMO (0.63) TNIKKDRIMPDH2SMOMEN1
SCHEMBL5339461 0.76 KDR (0.52) SYKROCK1KDRIMPDH2ALDH1A1
SCHEMBL5319083 0.75 GRIA1 (0.43) SYKROCK1KDRIMPDH2SMO

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
WO-2007076161-A2 COMPOUNDS WITH THERAPEUTIC ACTIVITY MYRIAD GENETICS, INC (US) 2007-07-05 WO disclosed