SCHEMBL17514217

SCHEMBL17514217

Clc1ccc(C2CCCN2c2[c]cnc3[nH]nc(C4CC4)c23)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 7/20 0.35
CDK8 P49336 7/20 0.35
DRD2 P14416 1/20 0.34
GSK3A P49840 1/20 0.34
CDK9 P50750 1/20 0.34
SLC6A3 Q01959 1/20 0.34
ROCK2 O75116 2/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33
GLA P06280 1/20 0.33
NUDT1 P36639 2/20 0.33
CHIT1 Q13231 1/20 0.32
CHIA Q9BZP6 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PROKR1 Q8TCW9 4/20 0.32
MAPK13 O15264 1/20 0.31
MAPK12 P53778 1/20 0.31

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
SCHEMBL16610738 0.66 KDM4E (0.37) CCNCCDK8PROKR1
SCHEMBL17514145 0.64 CCNC (0.66) CCNCCDK8DRD2GSK3ACDK9
SCHEMBL17514105 0.64 CCNC (0.66) CCNCCDK8DRD2GSK3ACDK9
SCHEMBL19349733 0.64 CCNC (0.66) CCNCCDK8DRD2GSK3ACDK9
SCHEMBL16611122 0.63 PDE2A (0.39) CCNCCDK8PROKR1
SCHEMBL16610696 0.63 PDE2A (0.37) CCNCCDK8PROKR1
SCHEMBL22327707 0.63 CCNA2 (0.43)
SCHEMBL22327913 0.61 IGF1R (0.47)
SCHEMBL23064464 0.61 LMNA (0.49)
SCHEMBL22327956 0.60 IGF1R (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3183239-A1 INDAZOLES Merck Patent GmbH (DE) 2017-06-28 EP disclosed
WO-2016026549-A1 INDAZOLES MERCK PATENT GMBH (DE) 2016-02-25 WO disclosed