SCHEMBL20037532

SCHEMBL20037532

Cc1ccc(NC(=O)C2CCNCC2)cn1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 1/20 0.52
FLT3 P36888 1/20 0.50
MAPT P10636 1/20 0.50
PTPN2 P17706 1/20 0.50
PTPN1 P18031 1/20 0.50
ALDH1A1 P00352 1/20 0.49
SIRT2 Q8IXJ6 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
NAMPT P43490 1/20 0.47
ABL1 P00519 1/20 0.47
KCNQ3 O43525 1/20 0.47
KCNQ2 O43526 1/20 0.47
DHODH Q02127 1/20 0.47
FPR2 P25090 1/20 0.46
GSK3B P49841 1/20 0.46
DYRK1A Q13627 1/20 0.46
MALT1 Q9UDY8 1/20 0.46

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
SCHEMBL18291735 0.84 ULK1 (0.57) ULK1FLT3MAPTPTPN2PTPN1
SCHEMBL20038302 0.84 ULK1 (0.51) ULK1FLT3MAPTPTPN2PTPN1
SCHEMBL20249460 0.83 FLT3 (0.55) ULK1FLT3MAPTPTPN2PTPN1
SCHEMBL26094393 0.83 KMT2A (0.53) ULK1MAPTALDH1A1NPC1RAB9A
SCHEMBL13144615 0.81 ALDH1A1 (0.58) ULK1FLT3MAPTALDH1A1SIRT2
SCHEMBL26944401 0.81 ALDH1A1 (0.54) MAPTPTPN2PTPN1ALDH1A1NPSR1
SCHEMBL16880173 0.80 NAMPT (0.51) ULK1FLT3MAPTPTPN2PTPN1
SCHEMBL1554136 0.79 GSK3B (0.60) ULK1SIRT2NPC1RAB9AABL1
SCHEMBL10195757 0.79 MEN1 (0.59) ULK1ALDH1A1NPC1RAB9ANPSR1
SCHEMBL4677821 0.78 KMT2A (0.63) ULK1FLT3PTPN1SIRT2NPC1

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-3305785-A1 PYRIDO[3,4-d]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Teijin Pharma Limited (JP) 2018-04-11 EP disclosed