SCHEMBL18291384

SCHEMBL18291384

Cc1ccc(N2CCNC[C@H]2C)nn1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 11/20 0.44
PIM1 P11309 2/20 0.42
PIM3 Q86V86 2/20 0.42
PIM2 Q9P1W9 2/20 0.42
HTR2A P28223 4/20 0.41
HTR2B P41595 2/20 0.41
KCNH2 Q12809 2/20 0.41
RAD52 P43351 1/20 0.41
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
GSK3B P49841 2/20 0.38
TLR9 Q9NR96 2/20 0.38
TLR8 Q9NR97 2/20 0.38
TLR7 Q9NYK1 2/20 0.38

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
SCHEMBL22489453 0.83 BPTF (0.55) HTR2CHTR2AHTR2B
SCHEMBL20037535 0.83 HTR2C (0.41) HTR2CPIM1PIM3PIM2HTR2A
SCHEMBL30609645 0.83 BPTF (0.55) HTR2CHTR2AHTR2B
SCHEMBL17884816 0.83 BPTF (0.55) HTR2CHTR2AHTR2B
SCHEMBL20038062 0.83 HTR2C (0.41) HTR2CPIM1PIM3PIM2HTR2A
SCHEMBL18291427 0.83 HTR2C (0.41) HTR2CPIM1PIM3PIM2HTR2A
SCHEMBL20249160 0.81 HTR2C (0.39) HTR2CPIM1PIM3PIM2HTR2A
SCHEMBL20249167 0.81 HTR2C (0.39) HTR2CPIM1PIM3PIM2HTR2A
SCHEMBL18291325 0.80 IRAK4 (0.37) HTR2CHTR2AHTR2BKCNH2
SCHEMBL13491002 0.79 PIM1 (0.45) HTR2CPIM1PIM3PIM2HTR2A

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-2016194831-A1 PYRIDO[3,4-d]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF 帝人ファーマ株式会社 2016-12-08 WO disclosed