SCHEMBL8289013

SCHEMBL8289013

Cc1ncc(C2=NCCN2C)cn1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.33
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
HTR1D P28221 1/20 0.32
PDCD1LG2 Q9BQ51 1/20 0.31
CD274 Q9NZQ7 1/20 0.31

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
SCHEMBL8289010 0.80 HPGDS (0.38) F10
SCHEMBL14085132 0.77 TOP2A (0.44) F10PDCD1LG2CD274
SCHEMBL7006039 0.75 CHRNB2 (0.48) F10PDCD1LG2CD274
SCHEMBL8286902 0.74 PTAFR (0.46) F10
SCHEMBL122260 0.72 ADORA3 (0.46)
SCHEMBL5502730 0.69 TOP2A (0.36) F10PDCD1LG2CD274
Water SCHEMBL9451273 0.68 PTAFR (0.43) F10
Water SCHEMBL9451270 0.68 PTAFR (0.43) F10
Hydrochloric Acid SCHEMBL6766285 0.68 TOP2A (0.41)
SCHEMBL8290031 0.67 NISCH (0.49) F10

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-2005032490-A2 CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-04-14 WO disclosed