SCHEMBL22110294

SCHEMBL22110294

CCc1cnn(C)c1-c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.43
WDR77 Q9BQA1 1/20 0.43
NR3C2 P08235 1/20 0.42
PDE2A O00408 3/20 0.42
MAPK14 Q16539 2/20 0.38
BRD4 O60885 1/20 0.38
KAT2B Q92831 1/20 0.38
BPTF Q12830 1/20 0.37
CREBBP Q92793 1/20 0.37
PTK2 Q05397 2/20 0.36
GRM5 P41594 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
SLC34A1 Q06495 2/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE10A Q9Y233 1/20 0.36
CYP11B2 P19099 1/20 0.36
PTGS2 P35354 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL12871796 0.84 PRMT5 (0.42) PRMT5WDR77PDE2ABRD4PTK2
SCHEMBL12871465 0.83 PRMT5 (0.43) PRMT5WDR77PDE2ABRD4PTK2
SCHEMBL21051395 0.83 ESR1 (0.40) PRMT5WDR77PTK2CYP11B2SMN1; SMN2
SCHEMBL12871639 0.82 FEN1 (0.44) PRMT5WDR77PDE2ABRD4CREBBP
SCHEMBL4835543 0.81 ALDH1A1 (0.46) PRMT5WDR77MAPK14SMN1; SMN2
SCHEMBL12871454 0.80 ALDH1A1 (0.40) PTK2SMN1; SMN2
SCHEMBL12871459 0.80 PRMT5 (0.46) PRMT5WDR77PDE2AHTR2AHTR2C
SCHEMBL16201319 0.79 PRMT6 (0.44) PRMT5WDR77NR3C2PDE2AMAPK14
SCHEMBL3630473 0.78 NR3C2 (0.41) PRMT5WDR77NR3C2PDE2AMAPK14
SCHEMBL16201150 0.75 PRMT1 (0.43) PRMT5WDR77NR3C2PDE2AMAPK14

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-3082819-B1 SUBSTITUTED DIAMINOPYRIMIDYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2020-06-17 EP disclosed