SCHEMBL3247623

SCHEMBL3247623

OB(O)c1ccc(Nc2cccc(OC(F)(F)F)c2)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.49
IGF1R P08069 2/20 0.47
CTSC P53634 2/20 0.46
GALR2 O43603 2/20 0.45
GALR1 P47211 2/20 0.45
EPHX2 P34913 1/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
CNR2 P34972 1/20 0.43
ABL1 P00519 1/20 0.42
BCR P11274 1/20 0.42
PIM1 P11309 1/20 0.42
EGFR P00533 3/20 0.41
ITK Q08881 2/20 0.41
KIF11 P52732 1/20 0.41
KDR P35968 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40

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
SCHEMBL22431578 0.85 SYK (0.60) SYKIGF1RCTSCEPHX2EGFR
Hydrochloric Acid SCHEMBL22405020 0.84 SYK (0.59) SYKIGF1RCTSCEPHX2EGFR
SCHEMBL3244704 0.81 SYK (0.52) SYKIGF1RCTSCGALR2GALR1
SCHEMBL3246352 0.77 CTSC (0.53) SYKIGF1RCTSCGALR2GALR1
SCHEMBL3242077 0.76 CTSC (0.47) SYKIGF1RCTSCGALR2GALR1
SCHEMBL3234950 0.76 CTSC (0.52) SYKIGF1RCTSCGALR2GALR1
SCHEMBL3247690 0.75 IGF1R (0.53) SYKIGF1RCTSCGALR2GALR1
SCHEMBL28459184 0.74 SYK (0.60) SYKIGF1RCTSCEPHX2EGFR
SCHEMBL21088768 0.74 SYK (0.46) SYKIGF1RCTSCGALR2GALR1
SCHEMBL3242880 0.74 BRAF (0.54) SYKCTSCABL1BCREGFR

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-2010057833-A1 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA, LTD. (BS) 2010-05-27 WO disclosed