SCHEMBL20117047

SCHEMBL20117047

Ic1ccc2cnn(C3CCCOC3)c2c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 10/20 0.41
JAK1 P23458 3/20 0.35
JAK2 O60674 2/20 0.35
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
PDE1A P54750 1/20 0.34
PDE1B Q01064 1/20 0.34
PDE1C Q14123 1/20 0.34
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33
HTR1A P08908 1/20 0.32
HTR1B P28222 1/20 0.32
HTR1F P30939 1/20 0.32
PDE4D Q08499 1/20 0.32
TTK P33981 2/20 0.32
PRKDC P78527 2/20 0.32

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
SCHEMBL20676205 0.84 JAK1 (0.40) PIK3CDJAK1JAK2CCNCCDK8
SCHEMBL22358040 0.81 KCNH2 (0.40) PIK3CDJAK1JAK2CCNCCDK8
SCHEMBL15440769 0.81 DDB1 (0.43) PIK3CDJAK1JAK2KDM4CPDE1A
SCHEMBL20116281 0.76 PDE1A (0.44) PIK3CDPDE1APDE1BPDE1CPDE4D
SCHEMBL20116882 0.76 PDE1A (0.44) PIK3CDPDE1APDE1BPDE1CPDE4D
SCHEMBL20116287 0.76 PDE1A (0.44) PIK3CDPDE1APDE1BPDE1CPDE4D
SCHEMBL21786656 0.75 RXRA (0.50) PIK3CD
SCHEMBL30236474 0.75 RXRA (0.50) PIK3CD
SCHEMBL411900 0.73 PDE9A (0.38) PIK3CD
SCHEMBL22358076 0.73 PIK3CD (0.41) PIK3CDPDE1APDE1BPDE1CHTR1A

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-2018081167-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2018-05-03 WO disclosed