SCHEMBL11233166

SCHEMBL11233166

COCCn1c(=S)[nH]c2ccc(-c3ccncc3)nc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.47
ALDH1A1 P00352 7/20 0.44
HSD17B10 Q99714 3/20 0.44
PKM P14618 2/20 0.44
KDM4E B2RXH2 2/20 0.44
USP2 O75604 1/20 0.44
GAA P10253 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
POLB P06746 1/20 0.43
MAPK1 P28482 1/20 0.40
MTOR P42345 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
NFATC1 O95644 1/20 0.38
GSK3B P49841 1/20 0.38

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
SCHEMBL11230498 0.85 ALDH1A1 (0.53) ALDH1A1HSD17B10PKMKDM4EGAA
SCHEMBL11224025 0.84 KDM4E (0.42) ALDH1A1HSD17B10KDM4EPOLBMEN1
SCHEMBL11231834 0.84 MAPT (0.38) RAB9AALDH1A1PKMCYP1A2CYP2C19
SCHEMBL11228862 0.83 MPO (0.43) ALDH1A1HSD17B10KDM4ECYP1A2CYP2C19
SCHEMBL11234835 0.83 MPO (0.46) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL11232223 0.82 HTT (0.42) ALDH1A1HSD17B10KDM4EGAAMEN1
SCHEMBL11240020 0.79 MAPT (0.42) RAB9APOLBCYP1A2CYP2C19NPSR1
SCHEMBL11237179 0.79 DYRK1A (0.44) ALDH1A1HSD17B10KDM4ECASP1CASP7
SCHEMBL11230744 0.77 RAB9A (0.46) RAB9AALDH1A1HSD17B10PKMKDM4E
SCHEMBL11246747 0.77 TDP1 (0.34) ALDH1A1KDM4EDYRK1AMAPK14MAPT

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