SCHEMBL9686728

SCHEMBL9686728

CC1(C)OCC(COc2ccc(F)c(NNc3ccc(F)cc3F)c2)O1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 18/20 0.61
CCNK O75909 1/20 0.37
CDK12 Q9NYV4 1/20 0.37

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
SCHEMBL9774733 0.80 MAPK14 (0.53) MAPK14
SCHEMBL9774729 0.80 MAPK14 (0.53) MAPK14
SCHEMBL24167809 0.79 MAPK14 (0.49) MAPK14CCNKCDK12
SCHEMBL19560079 0.78 MAPK14 (0.52) MAPK14
SCHEMBL9833964 0.76 MAPK14 (0.50) MAPK14
SCHEMBL10387224 0.76 MAPK14 (0.50) MAPK14
SCHEMBL9833970 0.76 MAPK14 (0.50) MAPK14
SCHEMBL4399885 0.76 MAPK14 (1.00) MAPK14
SCHEMBL2316044 0.76 MAPK14 (1.00) MAPK14
SCHEMBL2201607 0.76 MAPK14 (0.64) MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0349748-B1 SUBSTITUTED N-ARYL-NITROGEN CONTAINING HETEROCYCLES BAYER AG (DE) 1992-11-19 EP disclosed
US-5118849-A Arylamines intermediates BAYER AKTIENGESELLSCHAFT (DE) 1992-06-02 US disclosed
US-5039334-A Herbicidal and plant growth-regulating substituted N-aryl nitrogen heterocycles BAYER AKTIENGESELLSCHAFT (DE) 1991-08-13 US disclosed