SCHEMBL29340337

SCHEMBL29340337

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 2/20 0.43
▸ ALDH1A1 P00352 6/20 0.36
▸ LMNA P02545 1/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ GAA P10253 1/20 0.34
▸ PDK1 Q15118 7/20 0.33
▸ PDK2 Q15119 3/20 0.33
▸ PDK3 Q15120 3/20 0.33
▸ PDK4 Q16654 3/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ MPI P34949 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ TSHR P16473 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
SCHEMBL25551797 0.78 KCNQ3 (0.42) BTKALDH1A1PDK1PDK2PDK3
SCHEMBL30036996 0.78 KCNQ3 (0.42) BTKALDH1A1PDK1PDK2PDK3
SCHEMBL31592748 0.76 BTK (0.45) BTKPDK1PDK2PDK3PDK4
SCHEMBL29340146 0.76 BTK (0.36) BTKPDK1
SCHEMBL27059272 0.75 POLB (0.47) BTKALDH1A1LMNAGAAKDM4E
SCHEMBL30919676 0.74 BTK (0.43) BTKALDH1A1LMNACYP1A2CYP3A4
SCHEMBL27263191 0.74 BTK (0.43) BTKALDH1A1LMNACYP1A2CYP3A4
SCHEMBL29676954 0.73 BTK (0.46) BTKPDK1PDK2PDK3PDK4
SCHEMBL18766101 0.73 BTK (0.46) BTKPDK1PDK2PDK3PDK4
SCHEMBL7539390 0.73 AHR (0.48) BTKALDH1A1LMNAMAPTKMO

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
EP-3365334-B1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMA CO LTD (JP) 2024-07-17 — — EP disclosed
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