SCHEMBL29354580

SCHEMBL29354580

C=CC(=O)N1Cc2ccccc2C(n2nc(-c3cc(O)cc(F)c3)c3c(N)ncnc32)C1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 8/20 0.69
BTK Q06187 7/20 0.69
EGFR P00533 9/20 0.54
ABL1 P00519 1/20 0.53
HCK P08631 1/20 0.53
SRC P12931 1/20 0.53
KDR P35968 1/20 0.53
PIK3CA P42336 1/20 0.53
PIK3CB P42338 1/20 0.53
MTOR P42345 1/20 0.53
PIK3CG P48736 1/20 0.53
EPHB4 P54760 1/20 0.53
PRKDC P78527 1/20 0.53
PI4KB Q9UBF8 1/20 0.53
ITK Q08881 3/20 0.49
ATR Q13535 1/20 0.49
FGFR2 P21802 2/20 0.48

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
SCHEMBL16655308 1.00 PIK3CD (0.69) PIK3CDBTKEGFRABL1HCK
SCHEMBL16655929 0.89 EGFR (0.63) PIK3CDBTKEGFRABL1HCK
SCHEMBL16656044 0.88 PIK3CD (0.61) PIK3CDBTKEGFRABL1HCK
SCHEMBL16655500 0.87 BTK (0.57) PIK3CDBTKEGFRITKATR
SCHEMBL16665686 0.87 BTK (0.57) PIK3CDBTKEGFRITKATR
SCHEMBL16655630 0.86 PIK3CD (0.63) PIK3CDBTKEGFRABL1HCK
SCHEMBL23908595 0.85 PIK3CD (0.68) PIK3CDBTKEGFRABL1HCK
SCHEMBL16655401 0.85 PIK3CD (0.61) PIK3CDBTKEGFRABL1HCK
SCHEMBL16655311 0.85 BTK (0.68) PIK3CDBTKEGFRABL1HCK
SCHEMBL16665842 0.85 PIK3CD (0.61) PIK3CDBTKEGFRABL1HCK

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-3941905-A1 SUMO INHIBITOR COMPOUNDS AND USES THEREOF Suvalent Therapeutics, Inc. (US) 2022-01-26 EP claimed