SCHEMBL16620537

SCHEMBL16620537

CCN1CCN(Cc2ccc(NC(=O)N[C@H]3CCN(c4ccc5nncn5n4)C3)cc2C(F)(F)F)CC1

nearest known ligand 0.73

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 11/20 0.73
CCNC P24863 9/20 0.73
NTRK1 P04629 6/20 0.57
NTRK3 Q16288 6/20 0.57
NTRK2 Q16620 5/20 0.48
RET P07949 4/20 0.48
KDR P35968 3/20 0.48
FLT3 P36888 1/20 0.47

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
SCHEMBL16620539 1.00 CDK8 (0.73) CDK8CCNCNTRK1NTRK3NTRK2
SCHEMBL16620435 0.84 CDK8 (1.00) CDK8CCNCNTRK1NTRK3NTRK2
SCHEMBL16620076 0.84 CDK8 (1.00) CDK8CCNCNTRK1NTRK3NTRK2
SCHEMBL16620059 0.80 CDK8 (1.00) CDK8CCNCRET
SCHEMBL16629094 0.80 CDK8 (1.00) CDK8CCNCRET
SCHEMBL16620363 0.80 CDK8 (1.00) CDK8CCNC
SCHEMBL16620436 0.80 CDK8 (1.00) CDK8CCNC
SCHEMBL16620594 0.78 CDK8 (0.76) CDK8CCNCNTRK1NTRK3NTRK2
SCHEMBL16620598 0.78 CDK8 (0.76) CDK8CCNCNTRK1NTRK3NTRK2
SCHEMBL16620195 0.75 CDK8 (0.77) CDK8CCNCNTRK1NTRK3NTRK2

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-2015049325-A1 THERAPEUTIC INHIBITORS OF CDK8 AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2015-04-09 WO claimed
WO-2015049325-A1 THERAPEUTIC INHIBITORS OF CDK8 AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2015-04-09 WO disclosed
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