SCHEMBL16620154

SCHEMBL16620154

O=C(O)NC1CCN(c2nccc(Cl)n2)C1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CCNC P24863 2/20 0.43
CDK8 P49336 2/20 0.43
BTK Q06187 2/20 0.42
CCNE1 P24864 9/20 0.41
CDK2 P24941 9/20 0.41
PANK3 Q9H999 1/20 0.41
GPBAR1 Q8TDU6 1/20 0.39
SMPD3 Q9NY59 1/20 0.39

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
SCHEMBL7386934 0.83 BTK (0.51) BTK
SCHEMBL23830989 0.82 KDM4E (0.55) KDM4EALDH1A1HSD17B10MEN1KMT2A
SCHEMBL18228083 0.82 KDM4E (0.55) KDM4EALDH1A1HSD17B10MEN1KMT2A
SCHEMBL27834290 0.80 CCNC (0.53) CCNCCDK8BTK
SCHEMBL16620510 0.80 CCNC (0.53) CCNCCDK8BTK
SCHEMBL18228251 0.80 CCNC (0.53) CCNCCDK8BTK
SCHEMBL2329427 0.79 GPBAR1 (0.44) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL18890120 0.77 GLS (0.53)
SCHEMBL31402759 0.76 SMO (0.42) CDK2PANK3
SCHEMBL31402767 0.76 SMO (0.42) CDK2PANK3

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
WO-2015049325-A1 THERAPEUTIC INHIBITORS OF CDK8 AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2015-04-09 WO disclosed
US-20150045255-A1 Endometrial Phase or Endometrial Cancer Biomarkers WALFISH, PAUL (CA) 2015-02-12 US disclosed