SCHEMBL20037535

SCHEMBL20037535

C[C@H]1CNCCN1c1ccc(N)nn1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 10/20 0.41
HTR2A P28223 4/20 0.39
HTR2B P41595 2/20 0.39
KCNH2 Q12809 2/20 0.39
GSK3B P49841 4/20 0.38
LATS1 O95835 1/20 0.37
PIM1 P11309 2/20 0.36
PIM3 Q86V86 2/20 0.36
PIM2 Q9P1W9 2/20 0.36
TLR9 Q9NR96 2/20 0.35
TLR8 Q9NR97 2/20 0.35
TLR7 Q9NYK1 2/20 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
SCHEMBL18291427 1.00 HTR2C (0.41) HTR2CHTR2AHTR2BKCNH2GSK3B
SCHEMBL18291384 0.83 HTR2C (0.44) HTR2CHTR2AHTR2BKCNH2GSK3B
SCHEMBL20038062 0.82 HTR2C (0.41) HTR2CHTR2AHTR2BKCNH2GSK3B
SCHEMBL22489453 0.82 BPTF (0.55) HTR2CHTR2AHTR2B
SCHEMBL30609645 0.82 BPTF (0.55) HTR2CHTR2AHTR2B
SCHEMBL17884816 0.82 BPTF (0.55) HTR2CHTR2AHTR2B
SCHEMBL20249167 0.79 HTR2C (0.39) HTR2CHTR2AHTR2BKCNH2GSK3B
SCHEMBL20249160 0.79 HTR2C (0.39) HTR2CHTR2AHTR2BKCNH2GSK3B
SCHEMBL18291728 0.78 IRAK4 (0.35) HTR2CHTR2AHTR2B
SCHEMBL20142347 0.76 HTR2C (0.43) HTR2CHTR2AHTR2BGSK3BLATS1

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