SCHEMBL19512331

SCHEMBL19512331

CC(CN(C(=O)O)c1cc(Cl)nc2ccnn12)N1CCOCC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNN3 Q9UGI6 6/20 0.38
PDE10A Q9Y233 1/20 0.38
OPRM1 P35372 7/20 0.36
KCNN1 Q92952 1/20 0.35
KCNN2 Q9H2S1 1/20 0.35
P2RX7 Q99572 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CCNT1 O60563 1/20 0.33
CDK2 P24941 1/20 0.33
CDK9 P50750 1/20 0.33
CCNA1 P78396 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
SCHEMBL1934675 0.88 KCNN3 (0.34) KCNN3PDE10AOPRM1P2RX7
SCHEMBL14158398 0.74 PDE10A (0.48) KCNN3PDE10AKCNN1KCNN2CCNT1
SCHEMBL12587700 0.74 PDE10A (0.43) KCNN3PDE10AKCNN1KCNN2MEN1
SCHEMBL2033397 0.73 KCNN3 (0.52) KCNN3PDE10AKCNN1KCNN2CCNT1
SCHEMBL14158263 0.72 PDE10A (0.51) KCNN3PDE10AKCNN1KCNN2MEN1
SCHEMBL4213434 0.71 PDE10A (0.45) KCNN3PDE10AKCNN1KCNN2P2RX7
SCHEMBL19512332 0.69 AKT1 (0.31) OPRM1
SCHEMBL14242902 0.66 PDE10A (0.61) KCNN3PDE10AKCNN1KCNN2
SCHEMBL13117303 0.65 PDE10A (0.38) KCNN3PDE10AKCNN1KCNN2
SCHEMBL13263839 0.65 PDE10A (0.54) KCNN3PDE10AKCNN1KCNN2MEN1

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-2509602-B9 PYRAZOLOPYRIMIDINES AND RELATED HETEROCYCLES AS CK2 INHIBITORS SENHWA BIOSCIENCES INC (TW) 2017-11-01 EP disclosed