SCHEMBL29898014

SCHEMBL29898014

CC(C)(C)OC(=O)N1CC(F)(CN2CC(N3CC[C@H](n4nc(-c5ccc(Oc6ccccc6)cc5)c5c(N)ncnc54)[C@H](F)C3)C2)C1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BTK Q06187 20/20 0.56
KIT P10721 1/20 0.51
FLT3 P36888 1/20 0.51
EGFR P00533 1/20 0.50
LCK P06239 1/20 0.50
ITK Q08881 1/20 0.50

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
SCHEMBL24197341 1.00 BTK (0.56) BTKKITFLT3EGFRLCK
SCHEMBL28734217 0.92 BTK (0.55) BTKKITFLT3EGFRLCK
SCHEMBL30415202 0.92 BTK (0.58) BTKKITFLT3EGFRLCK
SCHEMBL24196657 0.92 BTK (0.58) BTKKITFLT3EGFRLCK
SCHEMBL22720754 0.91 BTK (0.64) BTKKITFLT3EGFRLCK
SCHEMBL22720892 0.91 BTK (0.64) BTKKITFLT3EGFRLCK
SCHEMBL22720750 0.91 BTK (0.64) BTKKITFLT3EGFRLCK
SCHEMBL24827868 0.91 BTK (0.64) BTKKITFLT3EGFRLCK
SCHEMBL22720845 0.91 BTK (0.64) BTKKITFLT3EGFRLCK
SCHEMBL22720728 0.91 BTK (0.64) BTKKITFLT3EGFRLCK

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-114920746-A BTK (BTK inhibitory or degrading agent) and application thereof in medicine 四川海思科制药有限公司 2022-08-19 CN disclosed