SCHEMBL8358658

SCHEMBL8358658

Cc1nc(C)n2nc(-c3cccnc3)[nH]c(=O)c12

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.52
PDE1A P54750 1/20 0.52
PDE1B Q01064 1/20 0.52
PDE1C Q14123 1/20 0.52
KMT2A Q03164 1/20 0.48
MAPT P10636 2/20 0.47
HPGD P15428 1/20 0.47
KDM4C Q9H3R0 1/20 0.47
BTK Q06187 1/20 0.47
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 2/20 0.45
TSHR P16473 1/20 0.43
PNP P00491 1/20 0.41
GAA P10253 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
NPY5R Q15761 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
SCHEMBL5916549 0.85 KMT2A (0.44) PDE5APDE1APDE1BPDE1CKMT2A
SCHEMBL1513983 0.85 PDE5A (0.60) PDE5APDE1APDE1BPDE1CKMT2A
SCHEMBL8358527 0.84 PDE5A (0.53) PDE5APDE1APDE1BPDE1CKMT2A
SCHEMBL8358661 0.83 PDE5A (0.53) PDE5APDE1APDE1BPDE1C
SCHEMBL8358659 0.81 PDE5A (0.47) PDE5APDE1APDE1BPDE1C
SCHEMBL6288549 0.80 PDE5A (0.54) PDE5APDE1APDE1BPDE1C
SCHEMBL5916399 0.79 PDE5A (0.51) PDE5APDE1APDE1BPDE1CKMT2A
SCHEMBL5619914 0.77 PDE5A (0.52) PDE5APDE1APDE1BPDE1C
SCHEMBL5916454 0.77 PDE2A (0.56) PDE5APDE1APDE1BPDE1C
SCHEMBL19198635 0.77 PDE5A (0.49) PDE5APDE1APDE1BPDE1C

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
WO-2004005291-A1 HETERO-CYCLICALY SUBSTITUTED IMIDAZOTRIAZINES BAYER HEALTHCARE AG (DE) 2004-01-15 WO disclosed