SCHEMBL24529335

SCHEMBL24529335

COc1nc(-c2cccc(CN)c2)cn2ccnc12

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 6/20 0.49
▸ SYK P43405 4/20 0.48
▸ CD63 P08962 1/20 0.48
▸ HCRTR2 O43614 5/20 0.45
▸ EPHB4 P54760 3/20 0.42
▸ CFD P00746 1/20 0.42
▸ TMIGD3 P0DMS9 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 0.86 AURKA (0.48) AURKASYKCD63HCRTR2EPHB4
SCHEMBL24529142 0.84 HCRTR2 (0.46) AURKASYKCD63HCRTR2EPHB4
SCHEMBL24529671 0.84 HCRTR2 (0.47) AURKASYKCD63HCRTR2EPHB4
SCHEMBL27180200 0.83 HCRTR2 (0.45) AURKASYKCD63HCRTR2EPHB4
SCHEMBL24529311 0.83 HCRTR2 (0.45) AURKASYKCD63HCRTR2EPHB4
SCHEMBL32663544 0.82 SYK (0.49) AURKASYKCD63HCRTR2EPHB4
SCHEMBL27180949 0.81 HCRTR2 (0.52) AURKASYKCD63HCRTR2EPHB4
SCHEMBL24529334 0.81 HCRTR2 (0.52) AURKASYKCD63HCRTR2EPHB4
SCHEMBL24529247 0.79 SYK (0.54) AURKASYKHCRTR2EPHB4TMIGD3
SCHEMBL24529316 0.78 BRD4 (0.48) AURKASYKHCRTR2EPHB4

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
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