SCHEMBL16966450

SCHEMBL16966450

CNc1nc(Cl)cc(N2C[C@H](C)C[C@@H](NC(=O)O)C2)n1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CCNC P24863 2/20 0.38
▸ CDK8 P49336 2/20 0.38
▸ CHRM4 P08173 5/20 0.37
▸ AURKA O14965 2/20 0.37
▸ PDPK1 O15530 2/20 0.37
▸ AURKB Q96GD4 2/20 0.37
▸ EIF2AK4 Q9P2K8 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ GRM4 Q14833 1/20 0.33

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
SCHEMBL12119831 0.86 AURKA (0.51) AURKAPDPK1AURKBEIF2AK4
SCHEMBL3124312 0.82 CCNC (0.46) CCNCCDK8LMNAGAA
SCHEMBL16966456 0.81 KDM4E (0.34) CCNCCDK8AURKAPDPK1AURKB
SCHEMBL16966457 0.80 AURKA (0.46) CCNCCDK8AURKAPDPK1AURKB
SCHEMBL1318649 0.78 AURKA (0.35) CCNCCDK8AURKAPDPK1AURKB
SCHEMBL1318713 0.78 AURKA (0.43) CCNCCDK8AURKAPDPK1AURKB
SCHEMBL16966480 0.77 PDPK1 (0.42) CCNCCDK8AURKAPDPK1AURKB
SCHEMBL16966439 0.77 AURKA (0.38) CCNCCDK8AURKAPDPK1AURKB
SCHEMBL1318652 0.75 AURKA (0.36) CCNCCDK8AURKAPDPK1AURKB
SCHEMBL16966468 0.75 AURKA (0.41) AURKAPDPK1AURKB

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
EP-2362775-B1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2015-08-05 — — EP disclosed
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