SCHEMBL22825664

SCHEMBL22825664

CCCC[C@@H](CCc1nc(N)nc2c(C)cccc12)COC(=O)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ KCNH2 Q12809 2/20 0.35
▸ HSP90AB1 P08238 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ ADORA2A P29274 2/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ ELANE P08246 1/20 0.33
▸ PRSS1 P07477 1/20 0.33
▸ PRSS2 P07478 1/20 0.33
▸ PRSS3 P35030 1/20 0.33
▸ TLR7 Q9NYK1 3/20 0.33
▸ GAA P10253 1/20 0.32
▸ HRH4 Q9H3N8 1/20 0.32
▸ RPS6KB1 P23443 1/20 0.32
▸ TLR8 Q9NR97 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
SCHEMBL22959029 0.78 KCNH2 (0.55) KCNH2TLR7TLR8
SCHEMBL22958983 0.74 KCNH2 (0.56) KCNH2TLR7TLR8
SCHEMBL22958987 0.71 GAA (0.36) ALDH1A1KCNH2HSP90AB1KDM4ETDP1
SCHEMBL18558889 0.69 CYP3A4 (0.55) CA2ALDH1A1CYP3A4TDP1LMNA
SCHEMBL29601605 0.67 KCNH2 (0.39) ALDH1A1KCNH2KDM4EELANETLR7
SCHEMBL22819395 0.67 KCNH2 (0.39) ALDH1A1KCNH2KDM4EELANETLR7
SCHEMBL22825595 0.66 KCNH2 (0.55) ALDH1A1KCNH2TLR7TLR8
SCHEMBL18856236 0.66 CYP3A4 (0.51) CA2ALDH1A1CYP3A4TDP1LMNA
SCHEMBL22844439 0.65 TSHR (0.50) CA2ALDH1A1CYP3A4TDP1LMNA
SCHEMBL21325598 0.64 TLR8 (0.69) KCNH2TLR7TLR8

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-2020255039-A1 COMBINATION OF HEPATITIS B VIRUS (HBV) VACCINES AND QUINAZOLINE DERIVATIVES Janssen Sciences Ireland Unlimited Company (IE) 2020-12-24 — — WO disclosed
Send feedback