SCHEMBL28520403

SCHEMBL28520403

Nc1nc(Cl)c(N=O)c(NCCC(CO)CO)n1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 1/20 0.32
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ CDK1 P06493 1/20 0.30
▸ CCNB1 P14635 1/20 0.30
▸ CCNA2 P20248 1/20 0.30
▸ CDK2 P24941 1/20 0.30
▸ CCNA1 P78396 1/20 0.30

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
SCHEMBL13300422 0.76 ALDH1A1 (0.35) TLR8CYP2C19
SCHEMBL31124846 0.67 CDK2 (0.43) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL28277511 0.65 CDK2 (0.39) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL872125 0.64 CYP2D6 (0.49) TLR8CYP2D6CYP2C19
SCHEMBL8038685 0.64 NPC1 (0.41) CYP2D6CYP2C19
SCHEMBL13300377 0.64 L3MBTL1 (0.34) —
SCHEMBL8038691 0.64 NPC1 (0.41) CYP2D6CYP2C19
Hydrochloric Acid SCHEMBL8038579 0.63 CYP2D6 (0.47) TLR8CYP2D6CYP2C19
SCHEMBL8051146 0.62 KMT2A (0.40) TLR8
SCHEMBL8051152 0.62 KMT2A (0.40) TLR8

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109456329-B Preparation method of famciclovir 迪嘉药业集团有限公司 2021-03-09 — — CN claimed
CN-109456329-B Preparation method of famciclovir 迪嘉药业集团有限公司 2021-03-09 — — CN disclosed
CN-109456329-B Preparation method of famciclovir 迪嘉药业集团有限公司 2021-03-09 — — CN disclosed
Send feedback