SCHEMBL22754113

SCHEMBL22754113

Nc1ncnc2c1c(-c1ccc(O)cc1F)nn2C1CCCNC1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 15/20 0.62
ABL1 P00519 15/20 0.62
EGFR P00533 15/20 0.62
HCK P08631 15/20 0.62
SRC P12931 15/20 0.62
KDR P35968 15/20 0.62
PIK3CA P42336 15/20 0.62
PIK3CB P42338 15/20 0.62
MTOR P42345 15/20 0.62
PIK3CG P48736 15/20 0.62
PRKDC P78527 15/20 0.62
EPHB4 P54760 14/20 0.62
PI4KB Q9UBF8 10/20 0.62
BTK Q06187 5/20 0.49

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
SCHEMBL22625427 0.84 EGFR (0.66) PIK3CDABL1EGFRHCKSRC
SCHEMBL23537866 0.84 BTK (0.60) EGFRBTK
SCHEMBL29901532 0.84 BTK (0.60) EGFRBTK
SCHEMBL16517884 0.84 EGFR (0.53) PIK3CDABL1EGFRHCKSRC
SCHEMBL13860271 0.84 BTK (0.60) EGFRBTK
SCHEMBL17235871 0.83 BTK (0.70) BTK
SCHEMBL17911430 0.83 BTK (0.70) BTK
SCHEMBL29799866 0.83 BTK (0.70) BTK
SCHEMBL17235723 0.83 BTK (0.69) PIK3CDABL1EGFRHCKSRC
SCHEMBL13860084 0.82 BTK (0.59) BTK

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-3138842-B1 POLYFLUORINATED COMPOUNDS ACTING AS BRUTON'S TYROSINE KINASE INHIBITORS ZHEJIANG DTRM BIOPHARMA CO LTD (CN) 2020-12-09 EP disclosed