SCHEMBL8997601

SCHEMBL8997601

Oc1nc(N2CCCC2)nc2c1CCCN2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 2/20 0.47
PDE4A P27815 2/20 0.47
PDE4B Q07343 2/20 0.47
PDE4C Q08493 2/20 0.47
PDE4D Q08499 2/20 0.47
HRH1 P35367 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
USP2 O75604 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
UHRF1 Q96T88 1/20 0.39
CASP1 P29466 1/20 0.37
CASP4 P49662 1/20 0.37
CASP5 P51878 1/20 0.37
HTR2C P28335 1/20 0.33
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
CYP2C19 P33261 3/20 0.33
CYP2C9 P11712 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL30644295 0.75 UHRF1 (0.46) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL16915857 0.75 UHRF1 (0.46) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL24697999 0.69 KDM4E (0.49) SMN1; SMN2HTR2CMEN1KMT2AMAPK1
SCHEMBL13131427 0.67 HRH1 (0.38) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL4429104 0.64 CHRM3 (1.00) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL12085258 0.64 UHRF1 (0.32) UHRF1
SCHEMBL18998118 0.63 KDM4E (0.46) SMN1; SMN2TDP1UHRF1KMT2ACYP1A2
SCHEMBL1975340 0.62 HRH1 (0.70) HRH1SMN1; SMN2USP2TDP1CASP1
SCHEMBL14078176 0.61 UHRF1 (0.50) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL11208162 0.60 SMN1; SMN2 (0.71) HRH1SMN1; SMN2USP2TDP1MEN1

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
JP-8092250-A None JP disclosed
JP-H0892250-A NEW PYRIDO(2,3-D)PYRIMIDINE DERIVATIVE AND PRODUCTION THEREOF ASAHI BREWERIES LTD 1996-04-09 JP disclosed