SCHEMBL7618072

SCHEMBL7618072

Cc1nccn1-c1nc(NCc2cccc([N+](=O)[O-])c2)c2ccsc2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4C Q08493 1/20 0.45
PDE4D Q08499 1/20 0.45
PDE3B Q13370 1/20 0.45
PDE3A Q14432 1/20 0.45
PDE5A O76074 4/20 0.44
MEN1 O00255 3/20 0.41
MAPT P10636 3/20 0.41
KMT2A Q03164 3/20 0.41
EGFR P00533 2/20 0.41
JAK2 O60674 2/20 0.41
JAK3 P52333 2/20 0.41
PTK2 Q05397 2/20 0.41
VCP P55072 1/20 0.41
ALDH1A1 P00352 3/20 0.40
POLB P06746 2/20 0.40
KCNN3 Q9UGI6 1/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL5124980 0.88 PDE5A (0.44) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL5128625 0.87 PDE5A (0.44) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL5118528 0.86 PDE5A (0.43) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL5122163 0.85 PDE5A (0.42) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL5113705 0.85 MAPT (0.43) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL5124591 0.84 PDE5A (0.41) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL5123053 0.83 MEN1 (0.41) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7619727 0.83 PDE5A (0.64) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7613298 0.83 PDE5A (0.48) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL5122830 0.82 KCNN3 (0.42) PDE4APDE4BPDE4CPDE4DPDE3B

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
US-6432950-B1 ANTICANCER AGENTS; KILLING CANCER CELLS CELL PATHWAYS 2002-08-13 US disclosed
US-6133271-A Method for inhibiting neoplastic cells and related conditions by exposure thienopyrimidine derivatives CELL PATHWAYS, INC. (US) 2000-10-17 US disclosed