SCHEMBL23948102

SCHEMBL23948102

CNc1ccnc2ccc(F)cc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 2/20 0.60
CCNC P24863 1/20 0.60
GAK O14976 4/20 0.56
RIPK2 O43353 4/20 0.49
TGFBR1 P36897 4/20 0.46
KCNH2 Q12809 2/20 0.46
LCK P06239 1/20 0.46
MAPK14 Q16539 1/20 0.46
RIPK3 Q9Y572 1/20 0.46
HTR1A P08908 3/20 0.46
ADRA1D P25100 3/20 0.46
ADRA1A P35348 3/20 0.46
ADRA1B P35368 3/20 0.46
SLC22A12 Q96S37 2/20 0.45
FERMT2 Q96AC1 1/20 0.45
CLK2 P49760 1/20 0.45
ACVR1 Q04771 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
DYRK1B Q9Y463 1/20 0.45
MAPKAPK2 P49137 1/20 0.41

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
SCHEMBL24010748 0.86 FERMT2 (0.60) CDK8CCNCGAKTGFBR1HTR1A
SCHEMBL2480030 0.82 CDK8 (0.60) CDK8CCNCGAKRIPK2TGFBR1
SCHEMBL20935452 0.81 CDK8 (0.56) CDK8CCNCGAKRIPK2TGFBR1
SCHEMBL28222299 0.81 CDK8 (0.56) CDK8CCNCGAKRIPK2TGFBR1
SCHEMBL25053127 0.80 HTR1A (0.70) CDK8RIPK2MAPK14HTR1AADRA1D
SCHEMBL22274361 0.79 HTR1A (0.59) CDK8CCNCGAKHTR1AADRA1D
SCHEMBL2621802 0.79 SLC22A12 (0.69) CDK8CCNCGAKRIPK2TGFBR1
SCHEMBL25822655 0.77 CCNC (0.71) CDK8CCNCGAKTGFBR1MAPKAPK2
SCHEMBL23999421 0.76 IP6K1 (0.46) CDK8CCNCHTR1AADRA1DADRA1A
SCHEMBL25520952 0.76 MAPKAPK2 (0.52) CDK8CCNCHTR1AADRA1DADRA1A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021226458-A1 AKT3 MODULATORS GEORGIAMUNE LLC (US) 2021-11-11 WO disclosed
WO-2021226519-A1 AKT3 MODULATORS GEORGIAMUNE LLC (US) 2021-11-11 WO disclosed
WO-2021226517-A1 AKT3 MODULATORS GEORGIAMUNE LLC (US) 2021-11-11 WO disclosed
WO-2021212111-A1 COMPOSITIONS AND METHODS FOR TREATING LEUKEMIA AUGUSTA UNIVERSITY RESEARCH INSTITUTE, INC. (US) 2021-10-21 WO disclosed