SCHEMBL19005553

SCHEMBL19005553

c1nc2c(nc3n2CCNC3)s1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
PDE4D Q08499 1/20 0.30
PDE3A Q14432 1/20 0.30
PDE10A Q9Y233 1/20 0.30

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
SCHEMBL19005562 0.74 HTR2A (0.31) HTR2AHTR2C
SCHEMBL19005519 0.71 HTR2C (0.38) HTR2AHTR2C
SCHEMBL19005560 0.69 HTR2A (0.32) HTR2AHTR2C
SCHEMBL19005546 0.68 MCHR1 (0.31) HTR2AHTR2C
SCHEMBL19005543 0.68 MCHR1 (0.35) HTR2AHTR2C
SCHEMBL19005561 0.68 HTR2A (0.31) HTR2AHTR2C
SCHEMBL1104770 0.67 HTR2C (0.46) HTR2AHTR2C
SCHEMBL22359272 0.66 PI4KA (0.60)
SCHEMBL19005552 0.66 MCHR1 (0.36) HTR2AHTR2C
SCHEMBL19005541 0.65 MCHR1 (0.31) HTR2AHTR2C

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-2017101796-A1 PHTHALAZINONE DERIVATIVE, AND PREPARATION METHOD AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2017-06-22 WO disclosed