SCHEMBL4430296

SCHEMBL4430296

Cn1c(=O)c2cn[nH]c2n(C)c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 5/20 0.39
PDE3A Q14432 5/20 0.39
LGMN Q99538 1/20 0.38
POLB P06746 1/20 0.38
PABPC1 P11940 1/20 0.38
ATAD2 Q6PL18 1/20 0.37
KDM4E B2RXH2 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
ADORA3 P0DMS8 2/20 0.36
ADORA2A P29274 2/20 0.36
ADORA1 P30542 2/20 0.36
PIK3CD O00329 1/20 0.36
ALPL P05186 1/20 0.36
TMIGD3 P0DMS9 1/20 0.36
PDE4A P27815 1/20 0.36
ADORA2B P29275 1/20 0.36
CYP2C19 P33261 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36

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
SCHEMBL11193540 0.81 PDE4A (0.44) LGMNADORA2APDE4AADORA2BPDE4B
SCHEMBL3794609 0.79 POLB (0.56) LGMNPOLBPABPC1ATAD2KDM4E
SCHEMBL3012870 0.77 PDE1A (0.48) PDE3BPDE3AADORA2AADORA1PDE4A
SCHEMBL11178750 0.72 HTT (0.35) ADORA2APDE4AADORA2BPDE4BPDE4C
SCHEMBL26602092 0.72 ALDH1A1 (0.39) KDM4EALDH1A1HTTKMT2A
SCHEMBL11175917 0.71 PDE1A (0.35) PDE3BPDE3AADORA2AADORA1PDE4A
SCHEMBL4724453 0.70 RXFP1 (0.38) KDM4ERXFP1ALPLALDH1A1HTT
SCHEMBL11175925 0.70 PDE4A (0.34) ADORA2APDE4AADORA2BPDE4BPDE4C
SCHEMBL612453 0.69 ATAD2 (0.44) ATAD2KDM4EADORA3ADORA2AADORA1
SCHEMBL13075951 0.67 ALDH1A1 (0.40) POLBPABPC1ATAD2ADORA3ADORA2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009158719-A2 METHODS AND COMPOSITIONS FOR TREATING DISORDERS HYDRA BIOSCIENCES, INC. (US) 2009-12-30 WO disclosed
WO-2009158719-A2 METHODS AND COMPOSITIONS FOR TREATING DISORDERS HYDRA BIOSCIENCES, INC. (US) 2009-12-30 WO disclosed
US-6133273-A DISORDERS ASSOCIATED WITH BONE LOSS BY INCREASED TRANSCRIPTION AND ELEVATION OF PLASMA CALCITONIN LEVELS INCLUDING PAGET'S DISEASE, POST MENOPAUSAL OSTEOPOROSIS, SENILE OSTEOPOROSIS, AND GLUCOCORTICOID-INDUCED OSTEOPOROSIS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-10-17 US disclosed