SCHEMBL29113643

SCHEMBL29113643

O=c1[nH]cnc2c1c(Cl)nn2C1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 6/20 0.47
RET P07949 4/20 0.40
PIK3CD O00329 3/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CG P48736 1/20 0.39
CSNK1A1 P48729 1/20 0.39
CSNK1D P48730 1/20 0.39
CSNK1E P49674 1/20 0.39
PDE9A O76083 4/20 0.37
KDR P35968 2/20 0.36
BTK Q06187 2/20 0.36
PDE1C Q14123 1/20 0.35

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
SCHEMBL12079225 0.82 NR3C1 (0.44) NR3C1RETPIK3CDPIK3CAPIK3CG
SCHEMBL18642033 0.73 JAK2 (0.42) RETPIK3CDPIK3CAPIK3CGCSNK1A1
SCHEMBL1742197 0.73 PDE9A (0.54) PDE9APDE1C
SCHEMBL30612643 0.69 PDE10A (0.36) PIK3CDCSNK1A1CSNK1DCSNK1EPDE9A
SCHEMBL20971222 0.68 HCAR1 (0.42) PIK3CDPIK3CAPDE9APDE1C
SCHEMBL17870121 0.68 NR3C1 (0.39) NR3C1CSNK1A1BTK
SCHEMBL19917153 0.68 ADAMTS5 (0.37) NR3C1RETPIK3CDPIK3CAPIK3CG
SCHEMBL17963092 0.66 NR3C1 (0.61) NR3C1
SCHEMBL31725442 0.65 PDE1C (0.40) NR3C1PIK3CDPIK3CAPIK3CGCSNK1A1
SCHEMBL20413442 0.64 NR3C1 (1.00) NR3C1

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
CN-113166161-B Compounds having PDE9A inhibiting activity and pharmaceutical uses thereof 韩国化学研究院 2023-10-27 CN disclosed