SCHEMBL30129950

SCHEMBL30129950

Cc1ncc2ccccc2c1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LPL P06858 2/20 0.38
▸ LIPG Q9Y5X9 2/20 0.38
▸ GPR3 P46089 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ CYP2A6 P11509 2/20 0.36
▸ CYP1A2 P05177 1/20 0.33
▸ DGAT1 O75907 1/20 0.32
▸ IRAK4 Q9NWZ3 1/20 0.32
▸ ALPL P05186 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ ANPEP P15144 1/20 0.30
▸ LAP3 P28838 1/20 0.30

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
SCHEMBL24876794 1.00 LPL (0.38) LPLLIPGGPR3KDM4ECYP2A6
SCHEMBL15159260 0.77 MEN1 (0.37) LPLLIPGKDM4ECYP1A2MEN1
SCHEMBL732170 0.76 LPL (0.47) LPLLIPGKDM4ECYP2A6CYP1A2
SCHEMBL774348 0.76 CYP1A2 (0.46) LPLLIPGKDM4ECYP2A6CYP1A2
SCHEMBL30149369 0.76 CYP1A2 (0.46) LPLLIPGKDM4ECYP2A6CYP1A2
SCHEMBL2018549 0.73 LPL (0.50) LPLLIPGANPEPLAP3
SCHEMBL20829045 0.72 LPL (0.44) LPLLIPGKDM4ECYP2A6CYP1A2
SCHEMBL21446903 0.72 LPL (0.44) LPLLIPGKDM4ECYP2A6CYP1A2
SCHEMBL30271873 0.72 LPL (0.44) LPLLIPGKDM4ECYP2A6CYP1A2
SCHEMBL21446902 0.72 LPL (0.48) LPLLIPGANPEPLAP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4367117-A1 TRICYCLIC COMPOUNDS AS INHIBITORS OF KRAS Incyte Corporation (US) 2024-05-15 — — EP disclosed
WO-2023283213-A1 TRICYCLIC COMPOUNDS AS INHIBITORS OF KRAS INCYTE CORPORATION (US) 2023-01-12 — — WO disclosed
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