SCHEMBL17836760

SCHEMBL17836760

CCC(C)=NNc1nc(Nc2ccc(Cl)cc2)nc(-c2c(F)cccc2Cl)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 1/20 0.37
NR1I2 O75469 1/20 0.37
AHR P35869 1/20 0.37
POLB P06746 2/20 0.36
APP P05067 2/20 0.36
PDE4B Q07343 5/20 0.36
RORC P51449 1/20 0.36
HPGD P15428 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KCNH3 Q9ULD8 2/20 0.35
MAPT P10636 1/20 0.35
CACNA1B Q00975 1/20 0.35
APBA1 Q02410 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HTT P42858 1/20 0.35
ALDH1A1 P00352 1/20 0.34
PDE4D Q08499 3/20 0.34
GLO1 Q04760 1/20 0.34
NPC1 O15118 1/20 0.34

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
SCHEMBL10204785 0.84 APP (0.44) TYK2APPRORCMEN1KMT2A
SCHEMBL10242565 0.81 NR1I2 (0.39) TYK2NR1I2AHRPOLBAPP
SCHEMBL416341 0.81 NR1I2 (0.39) TYK2NR1I2AHRPOLBAPP
SCHEMBL416340 0.81 NR1I2 (0.39) TYK2NR1I2AHRPOLBAPP
SCHEMBL417607 0.80 CHRNA7 (0.48) TYK2MAPT
SCHEMBL417606 0.80 CHRNA7 (0.48) TYK2MAPT
SCHEMBL10242559 0.80 CHRNA7 (0.48) TYK2MAPT
SCHEMBL417657 0.78 CA12 (0.48) PDE4BRORCMEN1KMT2AMAPT
SCHEMBL417656 0.78 CA12 (0.48) PDE4BRORCMEN1KMT2AMAPT
SCHEMBL417399 0.78 CHRNA7 (0.49) TYK2NR1I2AHRPOLBAPP

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-2595965-B1 INSECTICIDAL TRIAZINES AND PYRIMIDINES VESTARON CORP (US) 2016-06-22 EP claimed