SCHEMBL3467735

SCHEMBL3467735

COc1ccccc1-c1cnc2c(NCCc3ccccn3)nccn12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 1/20 0.47
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
FLT3 P36888 2/20 0.40
CYP1A2 P05177 3/20 0.39
ADORA3 P0DMS8 1/20 0.39
F2 P00734 2/20 0.39
EGFR P00533 1/20 0.39
CYP3A4 P08684 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
LMNA P02545 2/20 0.38
ALDH1A1 P00352 1/20 0.38
TTK P33981 1/20 0.38
MKNK1 Q9BUB5 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
SYK P43405 1/20 0.38
AURKB Q96GD4 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
SCHEMBL5404986 0.80 FLT3 (0.52) FLT3CYP1A2ADORA3CYP3A4CYP2C19
SCHEMBL3470436 0.79 TTK (0.52) FLT3ADORA3TTK
SCHEMBL3466960 0.77 EED (0.50) NPC1RAB9ACYP1A2CYP3A4CYP2C19
SCHEMBL12409322 0.74 ZAP70 (0.47) NPC1CYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL3469537 0.73 FYN (0.51) RAB9ACYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL3466848 0.72 FLT3 (0.43) FLT3CYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL5404980 0.72 MAPT (0.41) CYP1A2CYP3A4CYP2C19CYP2D6LMNA
SCHEMBL3466521 0.72 LMNA (0.41) NPC1RAB9AFLT3CYP1A2CYP3A4
SCHEMBL9940986 0.71 TTK (0.75) TTK
SCHEMBL8246878 0.70 FYN (0.47) FLT3CYP1A2ADORA3EGFRCYP3A4

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