SCHEMBL9923364

SCHEMBL9923364

Cc1cnc2[nH]ccc2c1CO

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 3/20 0.57
AXL P30530 2/20 0.57
CCNK O75909 1/20 0.41
CDK12 Q9NYV4 1/20 0.41
NUDT1 P36639 3/20 0.40
CIT O14578 1/20 0.40
JAK2 O60674 7/20 0.39
JAK1 P23458 4/20 0.39
RPS6KA3 P51812 3/20 0.37
PTK2 Q05397 3/20 0.37
CDK8 P49336 3/20 0.37
DAPK3 O43293 2/20 0.37
PRKD3 O94806 2/20 0.37
MAP4K4 O95819 2/20 0.37
PAK4 O96013 2/20 0.37
CSF1R P07333 2/20 0.37
RET P07949 2/20 0.37
IGF1R P08069 2/20 0.37
FGFR1 P11362 2/20 0.37
PRKACA P17612 2/20 0.37

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
SCHEMBL23114402 0.84 PRKCI (0.59) PRKCIAXLCCNKCDK12NUDT1
SCHEMBL1951102 0.79 NUDT1 (0.44) PRKCIAXLNUDT1JAK2JAK1
SCHEMBL17681732 0.79 PRKCI (0.49) PRKCIAXLCCNKCDK12NUDT1
SCHEMBL22380076 0.79 PRKCI (0.41) PRKCIAXLNUDT1CITJAK2
SCHEMBL23022192 0.79 JAK1 (0.46) PRKCIAXLNUDT1JAK2JAK1
SCHEMBL8324165 0.76 PRKCI (0.67) PRKCIAXLCCNKCDK12NUDT1
SCHEMBL15155103 0.73 PRKCI (0.62) PRKCIAXLCCNKCDK12NUDT1
SCHEMBL23089249 0.73 PRKCI (0.62) PRKCIAXLCCNKCDK12NUDT1
SCHEMBL12593919 0.73 PRKCI (0.62) PRKCIAXLCCNKCDK12NUDT1
SCHEMBL12561934 0.73 PRKCI (1.00) PRKCIAXLCCNKCDK12NUDT1

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
WO-2012078802-A1 PREPARATION OF SUBSTITUTED-4,5-DIHYDROPYRROLO[4,3,2-de][2,6]NAPHTHYRIDIN-3(1H)-ONES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-06-14 WO disclosed