SCHEMBL7656794

SCHEMBL7656794

CCn1c(=O)c2nc(C3CCCC3)n(Cc3ccccc3)c2n2nc(CNc3cccnc3)nc12

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.40
KMT2A Q03164 1/20 0.36
RAB9A P51151 4/20 0.35
NPC1 O15118 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
PDE5A O76074 2/20 0.35
ALDH1A1 P00352 3/20 0.34
ADORA3 P0DMS8 2/20 0.34
LMNA P02545 2/20 0.34
KDM4E B2RXH2 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
PDE7A Q13946 2/20 0.34
HTR2C P28335 1/20 0.34
GRM2 Q14416 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
MAPT P10636 1/20 0.32
LTA4H P09960 1/20 0.32
JAK2 O60674 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
SCHEMBL7666397 0.81 KMT2A (0.40) KMT2ARAB9ANPC1SMN1; SMN2PDE5A
SCHEMBL7661646 0.77 TLR7 (0.41) KMT2ARAB9ANPC1SMN1; SMN2PDE5A
SCHEMBL7671571 0.76 TLR7 (0.45) PDE4BKMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL8560623 0.76 KMT2A (0.41) KMT2ARAB9ANPC1SMN1; SMN2PDE5A
SCHEMBL6996208 0.73 PDE5A (0.47) KMT2ARAB9ANPC1SMN1; SMN2PDE5A
SCHEMBL7003070 0.71 PDE5A (0.48) PDE4BKMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL7003453 0.70 PDE5A (0.45) KMT2ARAB9ANPC1SMN1; SMN2PDE5A
SCHEMBL6999063 0.69 KMT2A (0.48) PDE4BKMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL7001362 0.69 KMT2A (0.48) KMT2ARAB9ANPC1SMN1; SMN2PDE5A
SCHEMBL6996654 0.68 KMT2A (0.46) KMT2ARAB9ANPC1SMN1; SMN2PDE5A

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
US-6492377-B1 Imidazotriazolopyrimidines with adenosine-antagonistic activity BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-12-10 US disclosed