SCHEMBL31592748

SCHEMBL31592748

Cc1ccc(-c2nc(Cl)ncc2Cl)cc1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 1/20 0.45
▸ KMO O15229 3/20 0.42
▸ LDHA P00338 2/20 0.41
▸ LDHB P07195 1/20 0.41
▸ PDK1 Q15118 8/20 0.41
▸ AKR1C2 P52895 1/20 0.40
▸ AKR1C1 Q04828 1/20 0.40
▸ MCL1 Q07820 1/20 0.40
▸ EIF4E P06730 1/20 0.39
▸ PDK2 Q15119 2/20 0.39
▸ PDK4 Q16654 2/20 0.39
▸ PDK3 Q15120 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ SORT1 Q99523 1/20 0.39
▸ PRKAG1 P54619 2/20 0.38
▸ PRKAA1 Q13131 2/20 0.38
▸ PRKAB1 Q9Y478 2/20 0.38
▸ PRKAB2 O43741 1/20 0.38
▸ PRKAA2 P54646 1/20 0.38
▸ TFDP2 Q14188 1/20 0.38

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
SCHEMBL29676954 0.85 BTK (0.46) BTKPDK1PDK2PDK4PDK3
SCHEMBL18766101 0.85 BTK (0.46) BTKPDK1PDK2PDK4PDK3
SCHEMBL30036996 0.77 KCNQ3 (0.42) BTKKMOPDK1PDK2PDK4
SCHEMBL25551797 0.77 KCNQ3 (0.42) BTKKMOPDK1PDK2PDK4
SCHEMBL22097892 0.76 CDH1 (0.45) BTK
SCHEMBL30919676 0.76 BTK (0.43) BTKPDK1PDK2PDK4HSP90AA1
SCHEMBL29340337 0.76 BTK (0.43) BTKKMOPDK1PDK2PDK4
SCHEMBL27263191 0.76 BTK (0.43) BTKPDK1PDK2PDK4HSP90AA1
SCHEMBL24852574 0.76 PDK1 (0.48) PDK1PDK2PDK4PDK3HSP90AA1
SCHEMBL31557673 0.76 PDK1 (0.48) PDK1PDK2PDK4PDK3HSP90AA1

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-114948963-B Benzolactam compounds as protein kinase inhibitors 大冢制药株式会社 2025-05-27 — — CN disclosed
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