SCHEMBL28743620

SCHEMBL28743620

CCOC(=O)Cn1nc(-c2nc(Cl)ncc2Cl)c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.48
▸ ALDH1A1 P00352 6/20 0.48
▸ KDM4E B2RXH2 5/20 0.48
▸ HPGD P15428 4/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ HTT P42858 3/20 0.48
▸ LMNA P02545 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ MEN1 O00255 2/20 0.47
▸ F2RL3 Q96RI0 1/20 0.44
▸ PTGS2 P35354 1/20 0.44
▸ TSHR P16473 2/20 0.43
▸ POLB P06746 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ SAE1 Q9UBE0 1/20 0.43
▸ UBA2 Q9UBT2 1/20 0.43
▸ NLRP3 Q96P20 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42

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
SCHEMBL28743589 0.80 PDE4B (0.53) ALDH1A1KDM4EHPGDKMT2AHTT
SCHEMBL29520539 0.78 PDE5A (0.39) ALDH1A1KDM4EHPGDKMT2AHTT
SCHEMBL15631894 0.78 ALDH1A1 (0.76) GAAALDH1A1KDM4EHPGDKMT2A
SCHEMBL29427445 0.75 GAA (0.55) GAAALDH1A1KDM4EHPGDKMT2A
SCHEMBL13791090 0.74 GAA (0.54) GAAALDH1A1KDM4EHPGDKMT2A
SCHEMBL15623056 0.73 GAA (0.56) GAAALDH1A1KDM4EHPGDKMT2A
SCHEMBL19100171 0.72 RPS6KA5 (0.41) KDM4ESMN1; SMN2
SCHEMBL30725494 0.72 MAP2K4 (0.41) ALDH1A1KDM4EPOLBL3MBTL1
SCHEMBL16653684 0.72 MAP2K4 (0.41) ALDH1A1KDM4EPOLBL3MBTL1
SCHEMBL18953236 0.71 TSHR (0.51) GAAALDH1A1KDM4EHPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114555585-A HPK1 inhibitors and uses thereof 上海齐鲁锐格医药研发有限公司 2022-05-27 — — CN disclosed
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