SCHEMBL8407979

SCHEMBL8407979

CC(C)CC(C)n1c(=O)[nH]c2c[nH]c(=O)nc21

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.33
GCK P35557 2/20 0.32
USP1 O94782 2/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
JAK3 P52333 1/20 0.31
CYP1A2 P05177 1/20 0.30

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
SCHEMBL8407844 0.83 POLB (0.44) POLBUSP1JAK2JAK1JAK3
SCHEMBL8405232 0.71 ADORA2A (0.46) POLBCYP1A2
SCHEMBL8404996 0.67 PDE4A (0.51)
SCHEMBL22822724 0.63 USP1 (0.37) POLBUSP1JAK2JAK1JAK3
SCHEMBL897035 0.63 ADORA2B (0.55) CYP1A2
SCHEMBL8407697 0.63 GSK3B (0.45)
SCHEMBL8407994 0.62 ADORA3 (0.47)
SCHEMBL8407792 0.61 ATM (0.48) POLBCYP1A2
SCHEMBL19200146 0.59 POLB (0.44) POLBUSP1
SCHEMBL22419395 0.58 USP1 (0.41) POLBUSP1JAK2JAK1JAK3

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
EP-0673938-B1 Purine derivatives and pharmaceutically acceptable salts thereof NIPPON ZOKI PHARMACEUTICAL CO (JP) 1999-07-07 EP disclosed
US-5658918-A INHIBITING NASAL MUCOUS SECRETION NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 1997-08-19 US disclosed
EP-0673938-A2 Novel purine derivatives and pharmaceutically acceptable salts thereof NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 1995-09-27 EP disclosed