SCHEMBL4258096

SCHEMBL4258096

Nc1nc(-c2ccccc2)c2c(OCCN3CCCC3)c[nH]c2n1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 10/20 0.51
ADORA2A P29274 9/20 0.51
CHUK O15111 1/20 0.47
HRH3 Q9Y5N1 8/20 0.46
ADORA2B P29275 7/20 0.46
ADORA3 P0DMS8 6/20 0.46
DRD3 P35462 4/20 0.46
DRD2 P14416 3/20 0.46
LTA4H P09960 2/20 0.44
HRH1 P35367 3/20 0.44
DRD1 P21728 2/20 0.44
DRD4 P21917 2/20 0.44
DRD5 P21918 2/20 0.44
KDM4E B2RXH2 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
NOS2 P35228 1/20 0.42

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
SCHEMBL28520194 0.69 CHUK (0.65) ADORA1ADORA2ACHUK
SCHEMBL4900919 0.68 ADORA1 (0.47) ADORA1ADORA2AHRH3ADORA2BADORA3
SCHEMBL22609954 0.68 CHUK (0.63) ADORA1ADORA2ACHUK
SCHEMBL11075542 0.67 KMT2A (0.60) LTA4HKDM4ESMN1; SMN2
SCHEMBL7012697 0.66 KDM4E (0.84) DRD3LTA4HHRH1DRD1DRD4
SCHEMBL15284096 0.66 DCPS (0.55)
SCHEMBL11076999 0.66 KMT2A (0.58) DRD3DRD2LTA4HHRH1DRD1
SCHEMBL30150794 0.66 LTA4H (0.73) DRD3DRD2LTA4HHRH1DRD1
SCHEMBL1031593 0.66 LTA4H (0.73) DRD3DRD2LTA4HHRH1DRD1
SCHEMBL2957971 0.65 ADORA1 (0.47) ADORA1ADORA2AHRH3ADORA2BADORA3

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-2009049028-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USE AS JANUS KINASE MODULATORS TARGEGEN INC. (US) 2009-04-16 WO claimed