SCHEMBL3471097

SCHEMBL3471097

CS(=O)(=O)Nc1cccc(-c2cnc3c(Nc4ccc5[nH]ccc5c4)nccn23)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIP4K2A P48426 1/20 0.44
▸ PIP4K2B P78356 1/20 0.44
▸ MAPKAPK5 Q8IW41 2/20 0.43
▸ AURKA O14965 2/20 0.42
▸ CYP1A2 P05177 3/20 0.41
▸ CYP3A4 P08684 3/20 0.41
▸ CYP2D6 P10635 3/20 0.41
▸ CLK4 Q9HAZ1 2/20 0.41
▸ FYN P06241 6/20 0.41
▸ ALOX15 P16050 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ AURKB Q96GD4 1/20 0.41
▸ PTK6 Q13882 1/20 0.40
▸ PAX8 Q06710 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ JAK2 O60674 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39

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
SCHEMBL3470478 0.84 MAPKAPK5 (0.43) MAPKAPK5AURKAFYNAURKBPTK6
SCHEMBL3469261 0.83 FYN (0.49) MAPKAPK5AURKACYP1A2CYP3A4CYP2D6
SCHEMBL3466931 0.81 CYP1A2 (0.47) MAPKAPK5AURKACYP1A2CYP3A4CYP2D6
SCHEMBL8241606 0.78 AURKA (0.58) MAPKAPK5AURKAAURKBPTK6SYK
SCHEMBL3470208 0.77 FGFR2 (0.40) MAPKAPK5CYP1A2PTK6SYK
SCHEMBL3468104 0.77 FGFR2 (0.42) MAPKAPK5AURKAAURKBPTK6TTK
SCHEMBL3469690 0.77 PRKD1 (0.44) MAPKAPK5CYP1A2TTKSYK
SCHEMBL14537044 0.77 AURKA (0.45) MAPKAPK5AURKAAURKBPTK6TTK
SCHEMBL3466251 0.76 TTK (0.52) CYP1A2CYP3A4CYP2D6CLK4FYN
SCHEMBL11939505 0.76 FLT1 (0.47) MAPKAPK5SYK

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-2010069684-A1 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA, LTD. (BS) 2010-06-24 — — WO claimed
WO-2010069684-A1 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA, LTD. (BS) 2010-06-24 — — WO disclosed
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