SCHEMBL24619233

SCHEMBL24619233

Cc1cc(C#N)c2cc(B3OC(C)(C)C(C)(C)O3)cc(F)c2n1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LPL P06858 2/20 0.33
LIPG Q9Y5X9 2/20 0.33
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
EGFR P00533 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.31
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 1/20 0.30
ESR2 Q92731 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
SCHEMBL29727181 1.00 LPL (0.33) LPLLIPGIDO1TDO2EGFR
SCHEMBL29684289 0.78 LPL (0.34) LPLLIPGIDO1TDO2EGFR
SCHEMBL24619212 0.78 LPL (0.34) LPLLIPGIDO1TDO2EGFR
SCHEMBL29684436 0.76 IDO1 (0.33) LPLLIPGIDO1TDO2EGFR
SCHEMBL24619125 0.76 IDO1 (0.33) LPLLIPGIDO1TDO2EGFR
SCHEMBL24619120 0.76 IDO1 (0.33) LPLLIPGIDO1TDO2EGFR
SCHEMBL18339421 0.75 LPL (0.40) LPLLIPGESR2
SCHEMBL24619656 0.74 CYP11B1 (0.37) CYP11B1CYP11B2ESR2
SCHEMBL29684565 0.74 IRAK4 (0.41) LPLLIPGIDO1TDO2EGFR
SCHEMBL24619763 0.74 IRAK4 (0.41) LPLLIPGIDO1TDO2EGFR

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
WO-2022149057-A1 CDK INHIBITORS RHIZEN PHARMACEUTICALS AG (CH) 2022-07-14 WO disclosed