SCHEMBL2479595

SCHEMBL2479595

Nc1nc2c(c(Nc3ccccc3)n1)CNCC2

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 9/20 0.52
HTR2A P28223 8/20 0.52
HTR1A P08908 4/20 0.52
DRD2 P14416 4/20 0.52
HTR7 P34969 4/20 0.52
DRD3 P35462 4/20 0.52
HTR6 P50406 4/20 0.52
HTR2B P41595 4/20 0.52
ADRA1A P35348 1/20 0.52
KDR P35968 3/20 0.48
CHUK O15111 1/20 0.43
EGFR P00533 1/20 0.43
BCL6 P41182 2/20 0.41
MAPT P10636 2/20 0.40
VCP P55072 1/20 0.38
TRPV1 Q8NER1 1/20 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
SCHEMBL2854741 0.77 EGFR (0.46) HTR2CHTR2AHTR1ADRD2HTR7
Hydrochloric Acid SCHEMBL6385574 0.76 MAPT (0.43) HTR2CHTR2AHTR1ADRD2HTR7
SCHEMBL12426177 0.76 HTR2C (0.55) HTR2CHTR2AHTR1ADRD2HTR7
SCHEMBL14086114 0.73 TRPV1 (0.53) HTR2CHTR2ATRPV1
SCHEMBL20298995 0.71 TOP2A (0.45) HTR2CHTR2AHTR2BTRPV1
SCHEMBL2450338 0.71 SYK (0.41) HTR2CHTR2AHTR1ADRD2HTR7
SCHEMBL3635486 0.69 KDR (0.54) KDRCHUKEGFRBCL6MAPT
SCHEMBL4868221 0.69 HTR2A (0.48) HTR2CHTR2AHTR1ADRD2HTR7
SCHEMBL16167172 0.69 CD44 (0.38) HTR2CHTR2AHTR2BMAPT
SCHEMBL15662918 0.69 MAPK14 (0.48) HTR2CHTR2AHTR7HTR2BMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2367826-A1 MODULATORS OF AMYLOID BETA. AstraZeneca AB (SE) 2011-09-28 EP disclosed
WO-2010053438-A1 MODULATORS OF AMYLOID BETA. ASTRAZENECA AB (SE) 2010-05-14 WO disclosed