SCHEMBL27475909

SCHEMBL27475909

CCCCn1nc(C)c(C(N)=O)c1N

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.41
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GAA P10253 1/20 0.36
KDM4E B2RXH2 1/20 0.36
PDPK1 O15530 1/20 0.34
RIPK2 O43353 1/20 0.33
LCK P06239 1/20 0.33
KDR P35968 1/20 0.33
TGFBR1 P36897 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
SCHEMBL7892447 0.94 MAPK1 (0.39) MAPK1
SCHEMBL7893510 0.94 MAPK1 (0.39) MAPK1
SCHEMBL7895688 0.94 MAPK1 (0.39) MAPK1
SCHEMBL7347255 0.90 MAPK1 (0.43) MAPK1MEN1LMNAHPGDKMT2A
SCHEMBL31194643 0.83 MAPK1 (0.44) MAPK1MEN1LMNAHPGDKMT2A
SCHEMBL27492051 0.83 PDPK1 (0.36) SMN1; SMN2GAAPDPK1RIPK2LCK
SCHEMBL7885922 0.77 CNR1 (0.36) MEN1KMT2ASMN1; SMN2KDM4EPDPK1
SCHEMBL7893996 0.77 CNR1 (0.36) MEN1KMT2ASMN1; SMN2KDM4EPDPK1
SCHEMBL7895740 0.77 CNR1 (0.36) MEN1KMT2ASMN1; SMN2KDM4EPDPK1
SCHEMBL18281310 0.77 GAA (0.57) MAPK1MEN1LMNAHPGDKMT2A

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-1177960-A 6-substituted pyrazolo (3, 4 -d) pyrimidin -4 ones and compositions and methods of use thereof SANOFI WINTHROP INC (US) 1998-04-01 CN disclosed