SCHEMBL8549269

SCHEMBL8549269

N=C(N)Nc1nnc(-c2ccccc2Cl)c2cccc(Br)c12

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.34
KMT2A Q03164 3/20 0.33
SMO Q99835 1/20 0.33
GAA P10253 1/20 0.33
PTPN1 P18031 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAOB P27338 1/20 0.32
KDR P35968 6/20 0.31
HSD17B10 Q99714 1/20 0.31
MEN1 O00255 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MAPT P10636 1/20 0.31
GPR84 Q9NQS5 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
SCHEMBL8372791 0.86 KDR (0.35) KMT2ASMOPTPN1KDRHSD17B10
SCHEMBL8554030 0.86 SIGMAR1 (0.34) SMN1; SMN2KDRHSD17B10MAPT
Hydrochloric Acid SCHEMBL8551586 0.85 KDR (0.34) KMT2ASMOKDRMAPT
SCHEMBL8552267 0.84 HSD11B1 (0.38) HSD11B1KMT2APTPN1SMN1; SMN2KDR
SCHEMBL8374822 0.83 NPSR1 (0.39) GAASMN1; SMN2KDRHSD17B10MAPT
SCHEMBL8549550 0.82 KDR (0.44) KMT2AGAASMN1; SMN2KDRHSD17B10
Hydrochloric Acid SCHEMBL8547376 0.81 NPSR1 (0.39) GAASMN1; SMN2KDRHSD17B10MAPT
SCHEMBL8553998 0.77 KDR (0.37) KMT2AGAASMN1; SMN2KDRMEN1
Hydrochloric Acid SCHEMBL8548606 0.77 ALDH1A1 (0.42) KMT2AGAASMN1; SMN2KDRHSD17B10
SCHEMBL8372825 0.77 ENPP3 (0.33)

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-0825187-A1 Condensed pyridazinyl guanidines, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-02-25 EP disclosed