SCHEMBL9049650

SCHEMBL9049650

CCCn1c(=O)[nH]c(Cl)c(CC#N)c1=O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.39
ADORA2B P29275 8/20 0.38
PDE4A P27815 7/20 0.38
PDE4B Q07343 7/20 0.38
PDE4C Q08493 7/20 0.38
PDE4D Q08499 7/20 0.38
ADORA2A P29274 6/20 0.38
ADORA3 P0DMS8 2/20 0.38
GLA P06280 1/20 0.36
MAPT P10636 1/20 0.36
KDM4E B2RXH2 1/20 0.35
USP2 O75604 1/20 0.35
ADORA1 P30542 1/20 0.35
KDM1A O60341 1/20 0.34

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
SCHEMBL30799166 0.72 MAPT (0.47) SMN1; SMN2ADORA2BPDE4APDE4BPDE4C
SCHEMBL30799260 0.69 MAPT (0.40) SMN1; SMN2ADORA2BPDE4APDE4BPDE4C
SCHEMBL8541305 0.67 ADORA2B (0.56) ADORA2BADORA2AADORA3KDM4EADORA1
SCHEMBL5054515 0.66 SMN1; SMN2 (0.60) SMN1; SMN2ADORA2BPDE4APDE4BPDE4C
SCHEMBL9765881 0.65 SMN1; SMN2 (0.46) SMN1; SMN2ADORA2BPDE4APDE4BPDE4C
SCHEMBL28328175 0.64 ADORA2A (0.47) SMN1; SMN2ADORA2BPDE4APDE4BPDE4C
SCHEMBL5051980 0.62 SMN1; SMN2 (0.44) SMN1; SMN2ADORA2BPDE4APDE4BPDE4C
SCHEMBL559878 0.62 MAPT (0.50) SMN1; SMN2ADORA2BPDE4APDE4BPDE4C
SCHEMBL17935736 0.62 APEX1 (0.54) SMN1; SMN2ADORA2BPDE4APDE4BPDE4C
SCHEMBL16004375 0.62 NPSR1 (0.58) SMN1; SMN2ADORA2BPDE4APDE4BPDE4C

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
EP-0404525-B1 Sulfur-containing fused pyrimidine derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1996-05-15 EP disclosed