SCHEMBL24529311

SCHEMBL24529311

CCCNCc1cccc(-c2cn3ccnc3c(OC)n2)c1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HCRTR2 O43614 5/20 0.45
▸ AURKA O14965 4/20 0.45
▸ EPHB4 P54760 9/20 0.45
▸ SYK P43405 2/20 0.43
▸ CD63 P08962 1/20 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
SCHEMBL24529142 0.92 HCRTR2 (0.46) HCRTR2AURKAEPHB4SYKCD63
SCHEMBL24529307 0.87 AURKA (0.48) HCRTR2AURKAEPHB4SYKCD63
SCHEMBL27180200 0.86 HCRTR2 (0.45) HCRTR2AURKAEPHB4SYKCD63
SCHEMBL24529671 0.84 HCRTR2 (0.47) HCRTR2AURKAEPHB4SYKCD63
SCHEMBL24529335 0.83 AURKA (0.49) HCRTR2AURKAEPHB4SYKCD63
SCHEMBL27181588 0.80 HCRTR2 (0.53) HCRTR2AURKAEPHB4SYKCD63
SCHEMBL24529309 0.80 HCRTR2 (0.53) HCRTR2AURKAEPHB4SYKCD63
SCHEMBL24386985 0.79 EPHB4 (0.41) HCRTR2AURKAEPHB4SYKCD63
SCHEMBL24529316 0.79 BRD4 (0.48) HCRTR2AURKAEPHB4SYK
SCHEMBL32663544 0.79 SYK (0.49) HCRTR2AURKAEPHB4SYKCD63

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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