SCHEMBL8516503

SCHEMBL8516503

O=c1[nH]c2ncc(-c3cccc4ncccc34)nc2n1C(CO)c1ccccc1I

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP1 O94782 2/20 0.39
FYN P06241 1/20 0.37
MTOR P42345 4/20 0.37
FTO Q9C0B1 1/20 0.34
KDM5B Q9UGL1 1/20 0.34
KDM2A Q9Y2K7 1/20 0.34
ATR Q13535 1/20 0.33
NPC1 O15118 1/20 0.32
ESR1 P03372 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
PTK2B Q14289 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ACVR1 Q04771 2/20 0.32
IDO1 P14902 1/20 0.32
PDE10A Q9Y233 2/20 0.32
BPTF Q12830 1/20 0.32
CYP1A2 P05177 1/20 0.32
MET P08581 1/20 0.31

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
SCHEMBL481520 0.88 USP1 (0.47) USP1FYNMTORFTOKDM5B
SCHEMBL481506 0.88 USP1 (0.47) USP1FYNMTORFTOKDM5B
SCHEMBL481507 0.88 USP1 (0.47) USP1FYNMTORFTOKDM5B
SCHEMBL2360028 0.81 MTOR (0.44) USP1FYNMTORFTOKDM5B
SCHEMBL2360032 0.81 MTOR (0.44) USP1FYNMTORFTOKDM5B
SCHEMBL481112 0.81 MTOR (0.44) USP1FYNMTORFTOKDM5B
SCHEMBL481751 0.80 FYN (0.43) USP1FYNMTORFTOKDM5B
SCHEMBL481278 0.80 FYN (0.43) USP1FYNMTORFTOKDM5B
SCHEMBL481277 0.80 FYN (0.43) USP1FYNMTORFTOKDM5B
SCHEMBL18726153 0.80 MTOR (0.45) USP1FYNMTORFTOKDM5B

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
EP-2457913-A2 Heteroaryl compounds, compositions thereof, and methods of treatment therewith Signal Pharmaceuticals LLC (US) 2012-05-30 EP disclosed