SCHEMBL7488116

SCHEMBL7488116

CCOC(=O)c1c(Cn2cncn2)nc2sc(C)c(C)c2c1-c1ccc2c(c1)OOC2

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.33
▸ MAPT P10636 5/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ POLB P06746 3/20 0.33
▸ HPGD P15428 3/20 0.33
▸ CYP2C9 P11712 3/20 0.33
▸ CYP2C19 P33261 3/20 0.33
▸ GAA P10253 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.32
▸ ABCG2 Q9UNQ0 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ STAT1 P42224 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ CASP3 P42574 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ ATM Q13315 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
SCHEMBL7490046 0.88 ALDH1A1 (0.35) ALDH1A1MAPTMEN1KMT2ATDP1
SCHEMBL7488126 0.87 PRKCI (0.42) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL7494921 0.83 SLC10A2 (0.44) ALDH1A1MAPTGAAKDM4EABCG2
SCHEMBL7490926 0.82 CYP2C9 (0.42) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL7490054 0.75 PRKCI (0.45) ALDH1A1MAPTMEN1KMT2ATDP1
SCHEMBL7683887 0.72 SLC10A2 (0.42) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL7493393 0.71 SLC10A2 (0.47) ALDH1A1MAPTGAAKDM4EABCG2
SCHEMBL7820217 0.71 SLC10A2 (0.41) ALDH1A1MAPTPOLBHPGDGAA
SCHEMBL7494845 0.71 PRKCI (0.48) ALDH1A1MAPTMEN1KMT2ATDP1
SCHEMBL7495269 0.71 PRKCI (0.46) ALDH1A1MAPTMEN1KMT2ATDP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0791000-B1 THIENOPYRIDINE OR THIENOPYRIMIDINE DERIVATIVES AND THEIR USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-10-02 — — EP disclosed
EP-0791000-A1 THIENOPYRIDINE OR THIENOPYRIMIDINE DERIVATIVES AND THEIR USE Takeda Chemical Industries, Ltd. (JP) 1997-08-27 — — EP disclosed
WO-1996014319-A1 THIENOPYRIDINE OR THIENOPYRIMIDINE DERIVATIVES AND THEIR USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-05-17 — — WO disclosed
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