SCHEMBL712492

SCHEMBL712492

Cc1nc2c(-c3ccc(F)cc3)cccc2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 3/20 0.55
GAA P10253 3/20 0.55
SI P14410 3/20 0.55
MGAM2 Q2M2H8 3/20 0.55
CLK2 P49760 2/20 0.46
DHODH Q02127 6/20 0.46
PARP1 P09874 1/20 0.45
DAPK3 O43293 1/20 0.44
PRKD3 O94806 1/20 0.44
MAP4K4 O95819 1/20 0.44
PAK4 O96013 1/20 0.44
ABL1 P00519 1/20 0.44
NTRK1 P04629 1/20 0.44
LCK P06239 1/20 0.44
CSF1R P07333 1/20 0.44
RET P07949 1/20 0.44
IGF1R P08069 1/20 0.44
MET P08581 1/20 0.44
PDGFRB P09619 1/20 0.44
FGFR1 P11362 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
SCHEMBL17263813 0.87 PARP1 (0.47) MGAMGAASIMGAM2DHODH
SCHEMBL10696507 0.85 CNR2 (0.49) MGAMGAASIMGAM2DHODH
SCHEMBL14959119 0.84 MGAM (0.57) MGAMGAASIMGAM2CLK2
SCHEMBL20936149 0.82 PARP1 (0.56) MGAMGAASIMGAM2PARP1
SCHEMBL14958587 0.80 GAA (0.48) MGAMGAASIMGAM2CLK2
SCHEMBL8589063 0.79 PARP1 (0.48) MGAMGAASIMGAM2DHODH
SCHEMBL14959118 0.79 MGAM (0.59) MGAMGAASIMGAM2CLK2
SCHEMBL14162137 0.77 DHODH (0.41) MGAMGAASIMGAM2DHODH
SCHEMBL29967926 0.76 PTGS2 (0.41) DHODHPARP1CNR2
SCHEMBL1902643 0.75 PARP1 (0.53) MGAMGAASIMGAM2DHODH

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8445473-B2 Heteroaryl-substituted bicyclic Smac mimetics and the uses thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2013-05-21 US disclosed
EP-2421825-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP disclosed
WO-2010124108-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO disclosed