SCHEMBL24619607

SCHEMBL24619607

CC(O)c1ccnc2c(F)cc(B3OC(C)(C)C(C)(C)O3)cc12

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.35
LPL P06858 3/20 0.35
LIPG Q9Y5X9 3/20 0.35
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32
ROCK1 Q13464 1/20 0.32
AAK1 Q2M2I8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL24619120 0.81 IDO1 (0.33) EGFRLPLLIPGIDO1TDO2
SCHEMBL20392650 0.81 LPL (0.39) EGFRLPLLIPGIDO1TDO2
SCHEMBL24619143 0.79 AAK1 (0.42) AAK1L3MBTL1
SCHEMBL24619188 0.77 KDM4E (0.39) EGFRLPLLIPGROCK1L3MBTL1
SCHEMBL29727236 0.77 KDM4E (0.39) EGFRLPLLIPGROCK1L3MBTL1
SCHEMBL29684033 0.76 L3MBTL1 (0.35) EGFRAAK1L3MBTL1
SCHEMBL29727266 0.75 SLC40A1 (0.36) EGFRLPLLIPGROCK1
SCHEMBL24619157 0.75 PSMD14 (0.42) EGFRLPLLIPGROCK1
SCHEMBL24619253 0.75 SLC40A1 (0.36) EGFRLPLLIPGROCK1
SCHEMBL29727230 0.75 PSMD14 (0.42) EGFRLPLLIPGROCK1

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