SCHEMBL4573257

SCHEMBL4573257

COc1cnc(C2CC2)c(N2CCN[C@H](C)C2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.40
CHRNB2 P17787 3/20 0.37
CHRNA4 P43681 3/20 0.37
CHRNB4 P30926 2/20 0.37
CHRNA3 P32297 2/20 0.37
KIT P10721 1/20 0.35
ZAP70 P43403 3/20 0.35
PRKCI P41743 1/20 0.34
ACVR1 Q04771 3/20 0.33
FGFR1 P11362 2/20 0.33
CHEK1 O14757 1/20 0.33
FGFR2 P21802 1/20 0.33
FGFR3 P22607 1/20 0.33
MAPK13 O15264 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK11 Q15759 1/20 0.33
MAPK14 Q16539 1/20 0.33
ROCK2 O75116 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32

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
SCHEMBL4573225 1.00 HRH4 (0.40) HRH4CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL4573273 0.78 ZAP70 (0.39) HRH4ZAP70ACVR1FGFR1FGFR2
SCHEMBL4590384 0.78 ZAP70 (0.39) HRH4ZAP70ACVR1FGFR1FGFR2
SCHEMBL4573206 0.75 PIK3CD (0.38) KIT
SCHEMBL3878732 0.73 MAPK13 (0.41) HRH4KITZAP70PRKCIMAPK13
SCHEMBL3878731 0.73 MAPK13 (0.41) HRH4KITZAP70PRKCIMAPK13
SCHEMBL8108577 0.72 MAP4K4 (0.46)
SCHEMBL4573909 0.72 MAP4K4 (0.46)
SCHEMBL14318088 0.70 HRH4 (0.41) HRH4KITPRKCIMAPK13MAPK12
SCHEMBL8113211 0.70 ROCK2 (0.39) HRH4ZAP70ACVR1FGFR1FGFR2

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
WO-2009001127-A1 CYANOCYCLOPROPYLCARBOXAMIDES AS CATHEPSIN INHIBITORS ASTRAZENECA AB (SE) 2008-12-31 WO disclosed
WO-2009001127-A1 CYANOCYCLOPROPYLCARBOXAMIDES AS CATHEPSIN INHIBITORS ASTRAZENECA AB (SE) 2008-12-31 WO disclosed