SCHEMBL11228862

SCHEMBL11228862

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

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.43
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TDP1 Q9NUW8 4/20 0.39
MAPT P10636 2/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
GSK3B P49841 2/20 0.34
CDC7 O00311 1/20 0.34
PKN1 Q16512 1/20 0.34
PKN2 Q16513 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALOX15 P16050 1/20 0.34
GFER P55789 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL11224025 0.87 KDM4E (0.42) ALDH1A1TDP1MAPTKMT2AMEN1
SCHEMBL11232223 0.85 HTT (0.42) ALDH1A1TDP1MAPTKMT2AMEN1
SCHEMBL11231834 0.84 MAPT (0.38) ALDH1A1TDP1MAPTCYP1A2CYP2C19
SCHEMBL11238965 0.83 CYP1A2 (0.42) ALDH1A1MAPTKMT2AMEN1CYP1A2
SCHEMBL11233166 0.83 RAB9A (0.47) ALDH1A1SMN1; SMN2TDP1MAPTKMT2A
SCHEMBL11234835 0.83 MPO (0.46) MPOALDH1A1SMN1; SMN2TDP1MAPT
SCHEMBL11240020 0.81 MAPT (0.42) TDP1MAPTLMNACYP1A2CYP2C19
SCHEMBL11246747 0.80 TDP1 (0.34) ALDH1A1TDP1MAPTLMNAKDM4E
SCHEMBL11237179 0.79 DYRK1A (0.44) ALDH1A1KMT2AMEN1GSK3BKDM4E
SCHEMBL11238086 0.78 TDP1 (0.47) ALDH1A1TDP1MAPTLMNACYP1A2

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