SCHEMBL30463142

SCHEMBL30463142

CC(C)[C@H](Nc1nc(Cl)ncc1F)C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KMT2A Q03164 1/20 0.40
SYK P43405 8/20 0.38
MAPT P10636 1/20 0.34
SCN9A Q15858 2/20 0.34
ABL1 P00519 1/20 0.33
BCR P11274 1/20 0.33

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
SCHEMBL28182535 1.00 ALDH1A1 (0.40) ALDH1A1L3MBTL1KMT2ASYKMAPT
SCHEMBL28182534 1.00 ALDH1A1 (0.40) ALDH1A1L3MBTL1KMT2ASYKMAPT
SCHEMBL2060711 0.86 SYK (0.40) ALDH1A1SYKMAPTABL1BCR
SCHEMBL2060715 0.86 SYK (0.40) ALDH1A1SYKMAPTABL1BCR
SCHEMBL2061922 0.86 SYK (0.40) ALDH1A1SYKMAPTABL1BCR
SCHEMBL18634006 0.78 ALDH1A1 (0.43) ALDH1A1L3MBTL1KMT2A
SCHEMBL3565874 0.77 KMT2A (0.53) ALDH1A1L3MBTL1KMT2ASYKMAPT
SCHEMBL18682777 0.74 ALDH1A1 (0.46) ALDH1A1L3MBTL1KMT2A
SCHEMBL16784842 0.74 ALDH1A1 (0.46) ALDH1A1L3MBTL1KMT2A
SCHEMBL16784839 0.74 ALDH1A1 (0.40) ALDH1A1L3MBTL1KMT2ASYKABL1

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-107216312-B Compound with mutant IDH inhibitory activity, preparation method and application thereof 上海海和药物研究开发股份有限公司 2023-08-01 CN disclosed