SCHEMBL7299658

SCHEMBL7299658

CC1(C)C=C(n2cc(Br)cc(Br)c2=O)c2ccncc2O1

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCNC P24863 20/20 0.37
CDK8 P49336 20/20 0.37
HASPIN Q8TF76 18/20 0.37
CDK19 Q9BWU1 11/20 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
SCHEMBL7348684 0.91 CCNC (0.31) CCNCCDK8HASPINCDK19
SCHEMBL7291808 0.89 CCNC (0.40) CCNCCDK8HASPINCDK19
SCHEMBL7374296 0.89 CCNC (0.38) CCNCCDK8HASPINCDK19
SCHEMBL7291488 0.86 CCNC (0.34) CCNCCDK8HASPINCDK19
SCHEMBL7300852 0.86 MAPT (0.35) CCNCCDK8HASPINCDK19
SCHEMBL7367507 0.84 AAK1 (0.37) CCNCCDK8HASPINCDK19
SCHEMBL7371406 0.84 CCNC (0.37) CCNCCDK8HASPINCDK19
SCHEMBL7300200 0.80 CCNC (0.33) CCNCCDK8HASPINCDK19
SCHEMBL7376009 0.80 AURKA (0.32) CCNCCDK8HASPINCDK19
SCHEMBL7294332 0.80 CCNC (0.37) CCNCCDK8HASPINCDK19

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-0308792-B1 AZACHROMANE DERIVATIVES MERCK PATENT GmbH (DE) 1993-07-28 EP disclosed
US-4931454-A Azachroman derivatives with effects on the cardiovascular system MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1990-06-05 US disclosed
EP-0308792-A2 Azachromane derivatives MERCK PATENT GmbH (DE) 1989-03-29 EP disclosed