SCHEMBL21394961

SCHEMBL21394961

CC(C)(C)OC(=O)Nc1nc(Br)c(C(O)c2cccc(F)c2)s1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LCK P06239 13/20 0.42
ACP1 P24666 1/20 0.38
HDAC4 P56524 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36

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
SCHEMBL29357021 1.00 LCK (0.42) LCKACP1HDAC4HDAC7HDAC5
SCHEMBL21395280 0.89 LCK (0.50) LCK
SCHEMBL29353882 0.88 LCK (0.45) LCKACP1
SCHEMBL21384103 0.88 LCK (0.45) LCKACP1
SCHEMBL21384113 0.84 ACP1 (0.42) ACP1HDAC4HDAC7HDAC5
SCHEMBL34467451 0.81 LCK (0.43) LCK
SCHEMBL21394898 0.80 SCD (0.45) LCK
SCHEMBL29356596 0.80 SCD (0.45) LCK
SCHEMBL6837299 0.76 LCK (0.46) LCK
SCHEMBL27459853 0.74 LCK (0.44) LCK

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
WO-2020198026-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-10-01 WO disclosed
WO-2019183587-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2019-09-26 WO disclosed