SCHEMBL24529671

SCHEMBL24529671

COc1nc(-c2cccc(CNC(C)C)c2)cn2ccnc12

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HCRTR2 O43614 5/20 0.47
▸ AURKA O14965 5/20 0.46
▸ SYK P43405 3/20 0.44
▸ CD63 P08962 1/20 0.44
▸ MAP4K4 O95819 1/20 0.44
▸ EPHB4 P54760 6/20 0.43
▸ KDR P35968 1/20 0.41
▸ TEK Q02763 1/20 0.41

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 0.88 AURKA (0.48) HCRTR2AURKASYKCD63EPHB4
SCHEMBL24529142 0.86 HCRTR2 (0.46) HCRTR2AURKASYKCD63EPHB4
SCHEMBL24529311 0.84 HCRTR2 (0.45) HCRTR2AURKASYKCD63EPHB4
SCHEMBL24529335 0.84 AURKA (0.49) HCRTR2AURKASYKCD63EPHB4
SCHEMBL27180200 0.80 HCRTR2 (0.45) HCRTR2AURKASYKCD63EPHB4
SCHEMBL27180734 0.80 HCRTR2 (0.55) HCRTR2AURKASYKCD63EPHB4
SCHEMBL24529266 0.80 HCRTR2 (0.55) HCRTR2AURKASYKCD63EPHB4
SCHEMBL24529669 0.80 HCRTR2 (0.54) HCRTR2AURKASYKCD63EPHB4
SCHEMBL29723747 0.80 HCRTR2 (0.54) HCRTR2AURKASYKCD63EPHB4
SCHEMBL27180721 0.80 HCRTR2 (0.54) HCRTR2AURKASYKCD63EPHB4

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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