SCHEMBL11234835

SCHEMBL11234835

CN(C)CCn1c(=S)[nH]c2ccc(-c3ccncc3)nc21

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MPO P05164 11/20 0.46
HAVCR2 Q8TDQ0 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
XDH P47989 6/20 0.39
ALDH1A1 P00352 2/20 0.39
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
HTR7 P34969 1/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 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
SCHEMBL11243932 0.85 MPO (0.40) MPOHAVCR2SMN1; SMN2KDM4EALDH1A1
SCHEMBL11224025 0.84 KDM4E (0.42) KDM4EALDH1A1MAPTTDP1MEN1
SCHEMBL11231834 0.84 MAPT (0.38) ALDH1A1MAPTTDP1
SCHEMBL11228862 0.83 MPO (0.43) MPOSMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL11233166 0.83 RAB9A (0.47) SMN1; SMN2KDM4EALDH1A1MAPTTDP1
SCHEMBL11232223 0.82 HTT (0.42) KDM4EALDH1A1MAPTTDP1MEN1
SCHEMBL11240020 0.79 MAPT (0.42) MAPTTDP1
SCHEMBL11237179 0.79 DYRK1A (0.44) KDM4EALDH1A1MEN1KMT2A
SCHEMBL11246747 0.75 TDP1 (0.34) KDM4EALDH1A1MAPTTDP1
SCHEMBL11238086 0.73 TDP1 (0.47) ALDH1A1MAPTTDP1

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
US-4317909-A Preparation of 1,3-dihydro-5-(pyridinyl)-2H-imidazo[4,5-b]pyridin-2-ones STERLING DRUG INC. (US) 1982-03-02 US disclosed
US-4294836-A 1,3-Dihydro-6-(pyridinyl)-2H-imidazo[4,5-b]pyridin-2-ones and -imidazo[4,5-b]-pyridine-2-thiones and their cardiotonic use STERLING DRUG INC. (US) 1981-10-13 US disclosed