SCHEMBL29533386

SCHEMBL29533386

CC(C)(C)c1nc(C(=O)NCc2ccc(-c3ccnc(NC(=O)C4CC4)c3)cc2C(F)(F)F)no1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 10/20 0.55
▸ LCK P06239 1/20 0.45
▸ GSK3B P49841 6/20 0.44
▸ MAPK14 Q16539 1/20 0.44
▸ ABL1 P00519 3/20 0.42
▸ RET P07949 2/20 0.42
▸ PDGFRB P09619 1/20 0.42
▸ KIT P10721 1/20 0.42
▸ BCR P11274 1/20 0.42
▸ PDGFRA P16234 1/20 0.42
▸ FGFR2 P21802 1/20 0.42
▸ KDR P35968 1/20 0.42
▸ FLT3 P36888 1/20 0.42
▸ MKNK1 Q9BUB5 1/20 0.42
▸ MKNK2 Q9HBH9 1/20 0.42
▸ MAPT P10636 1/20 0.41
▸ GSK3A P49840 1/20 0.41

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
SCHEMBL22659422 1.00 BTK (0.55) BTKLCKGSK3BMAPK14ABL1
SCHEMBL29533875 0.94 BTK (0.50) BTKLCKGSK3BMAPK14
SCHEMBL22660085 0.94 BTK (0.50) BTKLCKGSK3BMAPK14
SCHEMBL22659658 0.90 BTK (0.51) BTKLCKGSK3BMAPK14ABL1
SCHEMBL29533977 0.90 BTK (0.51) BTKLCKGSK3BMAPK14ABL1
SCHEMBL22659668 0.89 BTK (0.50) BTKLCKGSK3BMAPK14GSK3A
SCHEMBL22664661 0.89 BTK (0.54) BTKLCKGSK3BMAPK14
SCHEMBL29533262 0.89 BTK (0.50) BTKLCKGSK3BMAPK14GSK3A
Hydrochloric Acid SCHEMBL22659335 0.88 BTK (0.53) BTKLCKGSK3BMAPK14
SCHEMBL22659699 0.88 BTK (0.54) BTKLCKGSK3B

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
EP-3969124-A1 INHIBITING AGENTS FOR BRUTON'S TYROSINE KINASE Biogen MA Inc. (US) 2022-03-23 — — EP disclosed
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