SCHEMBL17608512

SCHEMBL17608512

Cn1cc(-c2ccc(Cc3n[nH]c4ccc(C(=O)N5CCNCC5)cc34)cc2)cn1

nearest known ligand 0.75

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CCNC P24863 16/20 0.75
▸ CDK8 P49336 16/20 0.75
▸ CDK19 Q9BWU1 1/20 0.56
▸ PARP1 P09874 3/20 0.48
▸ TLR9 Q9NR96 1/20 0.45
▸ TLR8 Q9NR97 1/20 0.45
▸ TLR7 Q9NYK1 1/20 0.45

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
SCHEMBL17608647 0.93 CCNC (0.75) CCNCCDK8CDK19PARP1
SCHEMBL17608692 0.92 CCNC (0.75) CCNCCDK8CDK19PARP1
SCHEMBL17608689 0.91 CCNC (0.64) CCNCCDK8CDK19PARP1
SCHEMBL17608605 0.87 CCNC (0.75) CCNCCDK8CDK19
SCHEMBL17608227 0.86 CCNC (0.76) CCNCCDK8CDK19
SCHEMBL17608483 0.86 CCNC (0.77) CCNCCDK8CDK19
SCHEMBL17608747 0.86 CCNC (0.77) CCNCCDK8CDK19
SCHEMBL17608488 0.86 CCNC (0.77) CCNCCDK8CDK19
SCHEMBL17608649 0.85 CCNC (0.78) CCNCCDK8CDK19PARP1
SCHEMBL17608384 0.85 CCNC (0.59) CCNCCDK8CDK19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016041618-A1 SUBSTITUTED INDAZOLES AND RELATED HETEROCYCLES MERCK PATENT GMBH (DE) 2016-03-24 — — WO disclosed
Send feedback