SCHEMBL3234950

SCHEMBL3234950

FC(F)(F)Oc1cccc(Nc2ccc(-c3cccnc3)cn2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSC P53634 2/20 0.52
NPY5R Q15761 2/20 0.52
IGF1R P08069 2/20 0.51
SYK P43405 1/20 0.50
KDR P35968 1/20 0.47
DYRK1A Q13627 1/20 0.47
KCNH2 Q12809 2/20 0.46
ABL1 P00519 1/20 0.46
OPRM1 P35372 1/20 0.46
GPR55 Q9Y2T6 2/20 0.46
SGMS2 Q8NHU3 1/20 0.45
KIT P10721 1/20 0.44
KCNA5 P22460 1/20 0.44
PIM1 P11309 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL13356415 0.86 GRM4 (0.47) GPR55CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3246352 0.84 CTSC (0.53) CTSCIGF1RSYKMAPTGALR2
SCHEMBL3247964 0.82 CTSC (0.49) CTSCIGF1RSYKKDRABL1
SCHEMBL3245277 0.80 ABL1 (0.55) CTSCABL1CYP1A2CYP3A4CYP2D6
SCHEMBL3245571 0.80 ABL1 (0.59) CTSCSYKDYRK1AABL1MAPT
SCHEMBL3247802 0.80 BRAF (0.58) CTSCSYKKDRDYRK1AABL1
SCHEMBL1704 0.79 ABL1 (0.65) IGF1RSYKABL1KIT
SCHEMBL30562384 0.79 NPY5R (0.67) NPY5RKDRDYRK1AKCNH2ABL1
SCHEMBL13362351 0.79 NPY5R (0.67) NPY5RKDRDYRK1AKCNH2ABL1
SCHEMBL3242880 0.79 BRAF (0.54) CTSCSYKKDRABL1MAPT

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