SCHEMBL28895212

SCHEMBL28895212

NC(=O)OCc1ccc(-n2cc(Cl)cn2)nc1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 15/20 0.56
ALKBH1 Q13686 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.37
KLKB1 P03952 1/20 0.36

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
SCHEMBL23930012 0.85 EGLN1 (0.49) EGLN1ALKBH1
SCHEMBL14075584 0.78 LMNA (0.53) EGLN1KDM4EALDH1A1KLKB1
SCHEMBL18789248 0.78 EGLN1 (0.46) EGLN1KDM4EALDH1A1HSD17B10
SCHEMBL30401307 0.78 EGLN1 (0.46) EGLN1KDM4EALDH1A1HSD17B10
SCHEMBL18789296 0.75 EGLN1 (0.51) EGLN1KDM4EALDH1A1HSD17B10KLKB1
SCHEMBL10691581 0.74 ALDH1A1 (0.51) KDM4EALDH1A1
SCHEMBL12989502 0.73 EGLN1 (0.47) EGLN1
SCHEMBL28938095 0.72 EGLN1 (0.46) EGLN1
SCHEMBL28938094 0.72 EGLN1 (0.46) EGLN1
SCHEMBL18806641 0.72 EGLN1 (0.45) EGLN1

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
CN-111423416-B Inhibitors of RET 缆图药品公司 2023-05-26 CN disclosed
CN-111423416-A Inhibitors of RET 蓝图药品公司 2020-07-17 CN disclosed
CN-108473468-B Inhibitors of RET 蓝图药品公司 2020-06-16 CN disclosed