SCHEMBL24386985

SCHEMBL24386985

C=CCOc1nc(-c2cccc(CNCC)c2)cn2ccnc12

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ EPHB4 P54760 10/20 0.41
▸ PDPK1 O15530 1/20 0.39
▸ AURKA O14965 1/20 0.39
▸ SYK P43405 2/20 0.38
▸ CD63 P08962 1/20 0.38
▸ HCRTR2 O43614 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ TMIGD3 P0DMS9 1/20 0.36

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
SCHEMBL24529142 0.87 HCRTR2 (0.46) EPHB4AURKASYKCD63HCRTR2
SCHEMBL24386988 0.82 ALDH1A1 (0.38) SYKCD63HCRTR2POLB
SCHEMBL24386982 0.81 HCRTR2 (0.44) EPHB4AURKASYKCD63HCRTR2
SCHEMBL24529311 0.79 HCRTR2 (0.45) EPHB4AURKASYKCD63HCRTR2
SCHEMBL27180200 0.77 HCRTR2 (0.45) EPHB4AURKASYKCD63HCRTR2
SCHEMBL24529307 0.77 AURKA (0.48) EPHB4PDPK1AURKASYKCD63
SCHEMBL24386989 0.75 HCRTR2 (0.41) SYKCD63HCRTR2
SCHEMBL24529671 0.74 HCRTR2 (0.47) EPHB4AURKASYKCD63HCRTR2
SCHEMBL2897650 0.73 SYK (0.73) SYKCD63
SCHEMBL24529319 0.72 SYK (0.40) EPHB4AURKASYKCD63

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-2022094012-A1 MACROCYCLIC UREA OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2022-05-05 — — WO disclosed
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