SCHEMBL28698017

SCHEMBL28698017

CCCCCCOC(=O)C(C)(C)Nc1nc(NC(=O)C(C)C)nc2c(C)cccc12

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.38
▸ LATS1 O95835 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ CASP7 P55210 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ KDM4A O75164 1/20 0.35
▸ KDM4C Q9H3R0 1/20 0.35
▸ ELANE P08246 1/20 0.34
▸ CTNNB1 P35222 2/20 0.34
▸ TCF7L2 Q9NQB0 2/20 0.34
▸ NOS1 P29475 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
SCHEMBL29601605 0.75 KCNH2 (0.39) ATMKDM4EMAPTCASP1CASP7
SCHEMBL22819395 0.75 KCNH2 (0.39) ATMKDM4EMAPTCASP1CASP7
SCHEMBL22819485 0.66 TLR8 (0.47) KDM4ECTNNB1TCF7L2
SCHEMBL29601645 0.66 TLR8 (0.47) KDM4ECTNNB1TCF7L2
SCHEMBL22819408 0.61 ALDH1A1 (0.50) KDM4EMAPTHSD17B10
SCHEMBL3368672 0.61 EPHX1 (0.59) —
Hydrochloric Acid SCHEMBL15559762 0.60 EPHX1 (0.46) —
SCHEMBL11038406 0.60 BID (0.46) KDM4EMAPTCASP1CASP7HSD17B10
SCHEMBL1025186 0.59 MAPK1 (0.59) —
SCHEMBL1022068 0.59 MAPK1 (0.59) —

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
CN-114008029-A Quinazoline prodrugs for the treatment of viral infections and additional diseases 爱尔兰詹森科学公司 2022-02-01 — — CN disclosed
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