SCHEMBL4708043

SCHEMBL4708043

CCN(c1nc(-c2cccc3cccnc23)c2c(cnn2Br)n1)c1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 2/20 0.32
KDM4E B2RXH2 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
SLC40A1 Q9NP59 3/20 0.31
PDE2A O00408 1/20 0.31
PDE10A Q9Y233 1/20 0.31
NFKBIA P25963 1/20 0.31
RELA Q04206 1/20 0.31
NR1H2 P55055 1/20 0.30
NR1H3 Q13133 1/20 0.30
MDM2 Q00987 1/20 0.30
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 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
SCHEMBL4090226 0.84 METAP2 (0.37) CRHR1SLC40A1NFKBIARELANR1H2
SCHEMBL4710336 0.79 SLC40A1 (0.34) CRHR1KDM4EL3MBTL1SLC40A1NFKBIA
SCHEMBL4105491 0.78 CRHR1 (0.35) CRHR1KDM4EL3MBTL1SLC40A1NFKBIA
SCHEMBL4108419 0.77 CRHR1 (0.33) CRHR1KDM4EL3MBTL1SLC40A1PDE2A
SCHEMBL4091836 0.77 SLC40A1 (0.33) CRHR1KDM4EL3MBTL1SLC40A1NFKBIA
SCHEMBL4096878 0.74 SLC40A1 (0.35) KDM4EL3MBTL1SLC40A1NFKBIARELA
SCHEMBL4101998 0.71 HPGD (0.35) CRHR1NR1H2NR1H3
SCHEMBL4107196 0.70 RXFP1 (0.38) CRHR1PDE2APDE10ANR1H2NR1H3
SCHEMBL4089957 0.70 MET (0.32) NR1H2NR1H3
SCHEMBL4107183 0.70 CRHR1 (0.35) CRHR1PDE2APDE10ANR1H2NR1H3

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