SCHEMBL4710336

SCHEMBL4710336

CCN(c1nc2c(c(-c3cccc4cccnc34)n1)NN(N)C2)c1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC40A1 Q9NP59 5/20 0.34
NFKBIA P25963 1/20 0.34
RELA Q04206 1/20 0.34
KDM4E B2RXH2 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HSP90AA1 P07900 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31
NR1H2 P55055 1/20 0.30
NR1H3 Q13133 1/20 0.30
CRHR1 P34998 1/20 0.30

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
SCHEMBL4091836 0.79 SLC40A1 (0.33) SLC40A1NFKBIARELAKDM4EL3MBTL1
SCHEMBL4708043 0.79 CRHR1 (0.32) SLC40A1NFKBIARELAKDM4EL3MBTL1
SCHEMBL4108419 0.78 CRHR1 (0.33) SLC40A1NFKBIARELAKDM4EL3MBTL1
SCHEMBL4090226 0.78 METAP2 (0.37) SLC40A1NFKBIARELANR1H2NR1H3
SCHEMBL4105491 0.78 CRHR1 (0.35) SLC40A1NFKBIARELAKDM4EL3MBTL1
SCHEMBL4096878 0.75 SLC40A1 (0.35) SLC40A1NFKBIARELAKDM4EL3MBTL1
SCHEMBL4101998 0.67 HPGD (0.35) NR1H2NR1H3CRHR1
SCHEMBL4107196 0.65 RXFP1 (0.38) NR1H2NR1H3CRHR1
SCHEMBL4107183 0.64 CRHR1 (0.35) NR1H2NR1H3CRHR1
SCHEMBL4102274 0.64 NLRP3 (0.33) NR1H2NR1H3CRHR1

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-1903045-A1 PYRAZOLOPYRIMIDINE DERIVATIVE Mitsubishi Tanabe Pharma Corporation (JP) 2008-03-26 EP disclosed