SCHEMBL7300440

SCHEMBL7300440

CC1(C)C=C(n2ccncc2=O)c2cnccc2O1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCNC P24863 2/20 0.32
CDK8 P49336 2/20 0.32
HASPIN Q8TF76 2/20 0.32
CDK19 Q9BWU1 2/20 0.32
MAPK14 Q16539 1/20 0.30

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
SCHEMBL7298792 0.90 CCNC (0.39) CCNCCDK8HASPINCDK19
SCHEMBL7294108 0.87 CA12 (0.40) CCNCCDK8HASPINCDK19
SCHEMBL7373569 0.84 CCNC (0.32) CCNCCDK8HASPINCDK19
SCHEMBL7293261 0.84 CCNC (0.33) CCNCCDK8HASPINCDK19
SCHEMBL8085306 0.81 ABCC9 (0.41)
SCHEMBL7373229 0.81 ABCC9 (0.30) CCNCCDK8HASPINCDK19
SCHEMBL7376043 0.80 CYP11B2 (0.33) CCNCCDK8HASPINCDK19
SCHEMBL7300509 0.80 CCNC (0.32) CCNCCDK8HASPINCDK19
SCHEMBL7288588 0.80 CCNC (0.33) CCNCCDK8HASPINCDK19
SCHEMBL7292067 0.80 CCNC (0.31) 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