SCHEMBL23458450

SCHEMBL23458450

O=C(Nc1cnccc1Cl)c1ccncc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.60
GSK3B P49841 1/20 0.60
TYK2 P29597 1/20 0.58
KCNMA1 Q12791 1/20 0.56
MAPK1 P28482 2/20 0.56
LMNA P02545 2/20 0.55
POLB P06746 1/20 0.55
GAA P10253 2/20 0.55
KDM4D Q6B0I6 1/20 0.54
KDM4C Q9H3R0 1/20 0.54
ALDH1A1 P00352 2/20 0.53
RAB9A P51151 1/20 0.53
ROCK2 O75116 1/20 0.53
ROCK1 Q13464 1/20 0.53
KMT2A Q03164 2/20 0.51
NT5E P21589 1/20 0.51
KDM4E B2RXH2 1/20 0.51
CHUK O15111 1/20 0.51
ICOSLG O75144 1/20 0.51
ICOS Q9Y6W8 1/20 0.51

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
SCHEMBL30785562 0.90 KMT2A (0.61) GSK3AGSK3BKCNMA1MAPK1LMNA
SCHEMBL321601 0.87 CYP11B1 (0.56) GSK3AGSK3BTYK2LMNAGAA
SCHEMBL17984931 0.87 CYP11B1 (0.56) GSK3AGSK3BKCNMA1LMNAKDM4D
SCHEMBL9902869 0.83 GAA (0.71) TYK2KCNMA1LMNAPOLBGAA
SCHEMBL22715632 0.81 GSK3A (0.55) GSK3AGSK3BKCNMA1LMNAPOLB
SCHEMBL29439748 0.81 GSK3A (0.55) GSK3AGSK3BKCNMA1LMNAPOLB
SCHEMBL7412368 0.80 ROCK2 (0.49) GSK3AGSK3BPOLBKDM4DKDM4C
SCHEMBL1520032 0.80 KCNMA1 (0.75) TYK2KCNMA1MAPK1LMNAPOLB
SCHEMBL23463919 0.79 HDAC1 (0.56) KCNMA1MAPK1GAAKDM4DKDM4C
SCHEMBL3589018 0.79 LMNA (0.53) GSK3AGSK3BLMNAKDM4DKDM4C

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
WO-2021110890-A1 PYRIDINIUM DERIVATIVES AS HERBICIDES SYNGENTA CROP PROTECTION AG (CH) 2021-06-10 WO disclosed
WO-2021110890-A1 PYRIDINIUM DERIVATIVES AS HERBICIDES SYNGENTA CROP PROTECTION AG (CH) 2021-06-10 WO disclosed