SCHEMBL6865485

SCHEMBL6865485

CNc1nc(C(F)(F)F)nc2c1ncn2C1CCCC1.CNc1nc(C(F)(F)F)nc2c1ncn2C1CCCCCC1.COc1ccc(Cn2cnc3c(NC4CC4)nc(C(F)(F)F)nc32)cc1OC.FC(F)(F)c1nc(NC2CC2)c2ncn(C3CCCCC3)c2n1.FC(F)(F)c1nc(NC2CC2)c2ncn(C3CCCCCC3)c2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
YTHDC1 Q96MU7 3/20 0.47
PDE4A P27815 2/20 0.47
PDE4B Q07343 2/20 0.47
PDE4C Q08493 2/20 0.47
PDE4D Q08499 2/20 0.47
PDE5A O76074 1/20 0.47
PDE1A P54750 1/20 0.47
PDE1B Q01064 1/20 0.47
PDE1C Q14123 1/20 0.47
CDK1 P06493 5/20 0.44
CCNE1 P24864 4/20 0.44
CDK2 P24941 4/20 0.44
TDP1 Q9NUW8 1/20 0.44
CTSL P07711 4/20 0.41
CTSB P07858 2/20 0.41
CTSS P25774 1/20 0.41
FLT3 P36888 2/20 0.40
AXL P30530 1/20 0.40
MERTK Q12866 1/20 0.40
PDGFRA P16234 2/20 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
SCHEMBL3131755 0.89 YTHDC1 (0.51) YTHDC1PDE4APDE4BPDE4CPDE4D
SCHEMBL6863948 0.86 CDK1 (0.40) YTHDC1PDE4APDE4BPDE4CPDE4D
SCHEMBL3582728 0.85 PDE4A (0.51) YTHDC1PDE4APDE4BPDE4CPDE4D
SCHEMBL4463443 0.83 PDE4A (0.42) YTHDC1PDE4APDE4BPDE4CPDE4D
SCHEMBL3142430 0.79 CTSL (0.61) CDK1CCNE1CDK2CTSLCTSB
SCHEMBL3142086 0.79 CTSL (0.61) CDK1CCNE1CDK2CTSLCTSB
SCHEMBL3133524 0.78 CCNE1 (0.53) YTHDC1PDE4APDE4BPDE4CPDE4D
SCHEMBL3137222 0.78 CTSL (0.59) CDK1CCNE1CDK2CTSLCTSB
SCHEMBL3146377 0.78 PDE4A (0.60) YTHDC1PDE4APDE4BPDE4CPDE4D
SCHEMBL3137520 0.77 PDE4A (0.61) YTHDC1PDE4APDE4BPDE4CPDE4D

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-1383767-A1 TRIFLUOROMETHYLPURINES AS PHOSPHODIESTERASE 4 INHIBITORS Memory Pharmaceutical Corporation (US) 2004-01-28 EP claimed
WO-2002098878-A1 TRIFLUOROMETHYLPURINES AS PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2002-12-12 WO claimed