SCHEMBL28902830

SCHEMBL28902830

CC(C)(C)OC(=O)Nc1nc2c(OC(=O)OC(C)(C)C)c(F)ccc2s1

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LCK P06239 13/20 0.44
MAPT P10636 2/20 0.42
DYRK1A Q13627 2/20 0.39

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
SCHEMBL30237087 1.00 LCK (0.44) LCKMAPTDYRK1A
SCHEMBL28902818 0.83 LCK (0.47) LCKMAPTDYRK1A
SCHEMBL30231217 0.83 LCK (0.47) LCKMAPTDYRK1A
SCHEMBL30231278 0.83 LCK (0.42) LCKMAPTDYRK1A
SCHEMBL30231276 0.83 LCK (0.42) LCKMAPTDYRK1A
SCHEMBL28902796 0.83 LCK (0.42) LCKMAPTDYRK1A
SCHEMBL33525654 0.82 LCK (0.49) LCKMAPT
SCHEMBL25382677 0.81 LCK (0.45) LCKMAPT
SCHEMBL23137486 0.81 ADORA2A (0.42) LCKMAPT
SCHEMBL30231211 0.81 LCK (0.45) LCKMAPT

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
CN-116390923-A Heterocyclic derivative and preparation method and application thereof 浙江海正药业股份有限公司 2023-07-04 CN disclosed
CN-115403575-A Heteroaromatic ring derivative and preparation method and application thereof 浙江海正药业股份有限公司 2022-11-29 CN disclosed