SCHEMBL6236030

SCHEMBL6236030

CCNc1nc(C(F)(F)F)nc2c1ncn2-c1cccc(OCc2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 4/20 0.46
PDE4B Q07343 4/20 0.46
PDE4C Q08493 4/20 0.46
PDE4D Q08499 4/20 0.46
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
CTSV O60911 1/20 0.42
CTSL P07711 1/20 0.42
CTSH P09668 1/20 0.42
CTSS P25774 1/20 0.42
CASP1 P29466 1/20 0.42
CTSK P43235 1/20 0.42
CTSC P53634 1/20 0.42
CTSZ Q9UBR2 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
BCHE P06276 2/20 0.40
LIPC P11150 1/20 0.40

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
SCHEMBL3136332 0.91 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DCYP2D6
SCHEMBL27611797 0.88 CYP2D6 (0.48) PDE4APDE4BPDE4CPDE4DCYP2D6
SCHEMBL3137716 0.86 YTHDC1 (0.42) PDE4APDE4BPDE4CPDE4DCYP2D6
SCHEMBL4917270 0.79 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DCYP2D6
SCHEMBL6259489 0.79 PDE4A (0.37) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL27611709 0.78 CYP2D6 (0.49) PDE4APDE4BPDE4CPDE4DCYP2D6
SCHEMBL3146103 0.77 YTHDC1 (0.40) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL3141335 0.77 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL3130876 0.76 TLR7 (0.43) PDE4APDE4BPDE4CPDE4DCYP2D6
SCHEMBL4477884 0.76 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DTSHR

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
EP-1529049-A2 DERIVATIVES OF 2-TRIFLUORMETHYL-6-AMINOPURINE AS PHOSPHODIESTERASE 4 INHIBITORS Memory Pharmaceutical Corporation (US) 2005-05-11 EP disclosed
WO-2004014913-A2 DERIVATIVES OF 2-TRIFLUORMETHYL-6-AMINOPURINE AS PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2004-02-19 WO disclosed