SCHEMBL9042201

SCHEMBL9042201

CC1(C)Oc2ccncc2[C@@H](N)[C@@H]1O

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 7/20 0.49
CCNC P24863 5/20 0.36
CDK8 P49336 5/20 0.36
HASPIN Q8TF76 5/20 0.36
CDK19 Q9BWU1 5/20 0.36
KCNE1 P15382 4/20 0.33
KCNQ1 P51787 4/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ABCB1 P08183 1/20 0.31

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
SCHEMBL9042189 1.00 ABCC9 (0.49) ABCC9CCNCCDK8HASPINCDK19
SCHEMBL9042195 1.00 ABCC9 (0.49) ABCC9CCNCCDK8HASPINCDK19
SCHEMBL14307284 0.81 ABCC9 (0.37) ABCC9HASPIN
SCHEMBL7886427 0.80 ABCC9 (0.46) ABCC9CCNCCDK8HASPINCDK19
SCHEMBL7886430 0.80 ABCC9 (0.46) ABCC9CCNCCDK8HASPINCDK19
SCHEMBL9363860 0.78 ABCC9 (0.47) ABCC9ABCB1
SCHEMBL9363847 0.78 ABCC9 (0.47) ABCC9ABCB1
SCHEMBL9363850 0.78 ABCC9 (0.47) ABCC9ABCB1
SCHEMBL7292872 0.77 ABCC9 (0.46) ABCC9CCNCCDK8HASPINCDK19
SCHEMBL7292871 0.77 ABCC9 (0.46) ABCC9CCNCCDK8HASPINCDK19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0401010-B1 Pyranyl cyanoguanidine derivatives SQUIBB & SONS INC (US) 1996-08-21 EP disclosed
US-5140031-A Pyranyl cyanoguanidine derivatives E. R. SQUIBB & SONS, INC. (US) 1992-08-18 US disclosed