SCHEMBL21901147

SCHEMBL21901147

CC(C)C#Cc1cc(N)c(C=N)cc1Nc1ccc(F)cc1

nearest known ligand 0.31

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.30
PRKD3 O94806 1/20 0.30
EGFR P00533 1/20 0.30
PRKCG P05129 1/20 0.30
PRKCB P05771 1/20 0.30
MAPT P10636 1/20 0.30
SRC P12931 1/20 0.30
PRKCA P17252 1/20 0.30
PRKCH P24723 1/20 0.30
PRKCI P41743 1/20 0.30
PRKCE Q02156 1/20 0.30
KMT2A Q03164 1/20 0.30
PRKCQ Q04759 1/20 0.30
PRKCZ Q05513 1/20 0.30
PRKCD Q05655 1/20 0.30
PRKD1 Q15139 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL21901152 0.86 GAA (0.35)
SCHEMBL21900949 0.76 HDAC1 (0.34)
SCHEMBL26321089 0.75
SCHEMBL23904233 0.75 MAPT (0.36) MEN1PRKD3EGFRPRKCGPRKCB
SCHEMBL26045155 0.74 MAPT (0.36) MEN1PRKD3EGFRPRKCGPRKCB
SCHEMBL21901148 0.71
SCHEMBL23199536 0.71 PGK1 (0.30)
SCHEMBL29370016 0.68 CDC7 (0.46) MEN1MAPTKMT2A
SCHEMBL21900969 0.68 CDC7 (0.46) MEN1MAPTKMT2A
SCHEMBL22828956 0.67 TDP1 (0.40) MEN1PRKD3EGFRPRKCGPRKCB

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
WO-2020081257-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-04-23 WO disclosed