SCHEMBL16620436

SCHEMBL16620436

O=C(Nc1cccc(C(F)(F)F)c1)N[C@H]1CCN(c2ccc3nncn3n2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 3/20 1.00
CCNC P24863 2/20 0.73
CA12 O43570 5/20 0.55
CA1 P00915 5/20 0.55
CA2 P00918 5/20 0.55
CA4 P22748 5/20 0.55
CA7 P43166 5/20 0.55
CA9 Q16790 5/20 0.55
TRPV1 Q8NER1 1/20 0.55
EPHX2 P34913 3/20 0.53
DCUN1D1 Q96GG9 8/20 0.52
UBE2M P61081 6/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
KIT P10721 1/20 0.50

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
SCHEMBL16620363 1.00 CDK8 (1.00) CDK8CCNCCA12CA1CA2
SCHEMBL16620069 0.87 CDK8 (0.77) CDK8CCNCCA12CA1CA2
SCHEMBL16620195 0.87 CDK8 (0.77) CDK8CCNCCA12CA1CA2
SCHEMBL16620076 0.85 CDK8 (1.00) CDK8CCNCCA12CA1CA2
SCHEMBL16620435 0.85 CDK8 (1.00) CDK8CCNCCA12CA1CA2
SCHEMBL16620594 0.81 CDK8 (0.76) CDK8CCNCCA12CA1CA2
SCHEMBL16620598 0.81 CDK8 (0.76) CDK8CCNCCA12CA1CA2
SCHEMBL18126685 0.80 CDK8 (0.67) CDK8CCNCTRPV1MEN1KMT2A
SCHEMBL16620537 0.80 CDK8 (0.73) CDK8CCNC
SCHEMBL16620539 0.80 CDK8 (0.73) CDK8CCNC

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