SCHEMBL24529316

SCHEMBL24529316

COc1nc(-c2cccc(CNC(=O)OC(C)(C)C)c2)cn2ccnc12

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.48
▸ HCRTR2 O43614 5/20 0.47
▸ EPHB4 P54760 6/20 0.46
▸ PDPK1 O15530 1/20 0.44
▸ AURKA O14965 3/20 0.43
▸ SYK P43405 3/20 0.43
▸ CCKBR P32239 1/20 0.42

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
SCHEMBL24529307 0.82 AURKA (0.48) HCRTR2EPHB4PDPK1AURKASYK
SCHEMBL24529315 0.81 HCRTR2 (0.56) HCRTR2EPHB4AURKASYK
SCHEMBL24529142 0.81 HCRTR2 (0.46) HCRTR2EPHB4AURKASYK
SCHEMBL21455694 0.80 BRD4 (0.48) BRD4EPHB4CCKBR
SCHEMBL24529632 0.80 HCRTR2 (0.56) HCRTR2EPHB4SYK
SCHEMBL24529671 0.80 HCRTR2 (0.47) HCRTR2EPHB4AURKASYK
SCHEMBL32663544 0.80 SYK (0.49) HCRTR2EPHB4AURKASYK
SCHEMBL21439075 0.80 BRD4 (0.49) BRD4EPHB4PDPK1CCKBR
SCHEMBL24529311 0.79 HCRTR2 (0.45) HCRTR2EPHB4AURKASYK
SCHEMBL21439422 0.79 BRD4 (0.49) BRD4EPHB4SYKCCKBR

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-2022132696-A1 UREA OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2022-06-23 — — WO disclosed
Send feedback