SCHEMBL12850328

SCHEMBL12850328

NC1(COc2cncc(-c3cc(N[C@H]4CC[C@H](N5CCCOCC5)CC4)ncc3Cl)n2)CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 20/20 0.47

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
SCHEMBL12850320 1.00 CCNT1 (0.47) CCNT1
SCHEMBL12850336 0.83 CCNT1 (0.49) CCNT1
SCHEMBL12850319 0.83 CCNT1 (0.52) CCNT1
SCHEMBL12850285 0.81 CCNT1 (0.56) CCNT1
SCHEMBL12850561 0.81 CCNT1 (0.56) CCNT1
SCHEMBL12850334 0.81 CCNT1 (0.60) CCNT1
SCHEMBL8784970 0.81 CCNT1 (0.48) CCNT1
SCHEMBL12850537 0.81 CCNT1 (0.60) CCNT1
SCHEMBL12850332 0.81 CCNT1 (0.48) CCNT1
SCHEMBL12850652 0.80 CCNT1 (0.49) CCNT1

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-2012101062-A1 SUBSTITUTED BI-HETEROARYL COMPOUNDS AS CDK9 INHIBITORS AND THEIR USES NOVARTIS AG (CH) 2012-08-02 WO disclosed