SCHEMBL28830993

SCHEMBL28830993

CC(=O)Nc1c(C)c(Cl)nc(Cl)c1C

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 2/20 0.39
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
LMNA P02545 1/20 0.37
ADORA3 P0DMS8 2/20 0.37
POLB P06746 2/20 0.37
ABL1 P00519 3/20 0.37
PTK2 Q05397 1/20 0.36
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL3842843 0.80 TDP1 (0.43) L3MBTL1MAPTALDH1A1HPGDALOX15
SCHEMBL11561386 0.78 L3MBTL1 (0.51) L3MBTL1MAPTALDH1A1HPGDALOX15
SCHEMBL13103938 0.76 ALDH1A1 (0.47) L3MBTL1MAPTALDH1A1HPGDALOX15
SCHEMBL25104672 0.71 KMT2A (0.42) L3MBTL1MAPTALDH1A1HPGDHSD17B10
SCHEMBL16639430 0.70 ADORA3 (0.54) L3MBTL1MAPTALDH1A1HPGDALOX15
SCHEMBL25813368 0.70 LMNA (0.37) L3MBTL1MAPTALDH1A1HPGDALOX15
SCHEMBL30481961 0.69 PTK2 (0.40) L3MBTL1ALDH1A1PTK2TDP1
SCHEMBL25323093 0.69 PTK2 (0.40) L3MBTL1ALDH1A1PTK2TDP1
SCHEMBL1445865 0.68 ALDH1A1 (0.42) L3MBTL1MAPTALDH1A1HPGDALOX15
SCHEMBL15942900 0.68 ALDH1A1 (0.46) L3MBTL1MAPTALDH1A1HPGDALOX15

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-114853752-B Preparation and application of BTK inhibitor pyrido heterocyclic compound 药雅科技(上海)有限公司 2023-08-22 CN disclosed
WO-2022166468-A1 BRUTON'S TYROSINE KINASE INHIBITOR AND APPLICATION THEREOF 药雅科技(上海)有限公司 2022-08-11 WO disclosed
CN-114853752-A Preparation and application of BTK inhibitor pyridine heterocyclic compound 药雅科技(上海)有限公司 2022-08-05 CN disclosed