SCHEMBL28703062

SCHEMBL28703062

CN1CCOC(COc2cccnc2C#N)C1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 4/20 0.46
▸ DRD4 P21917 6/20 0.44
▸ EPHA2 P29317 4/20 0.41
▸ IRAK4 Q9NWZ3 1/20 0.41
▸ ERBB2 P04626 1/20 0.41
▸ EPHB4 P54760 1/20 0.41
▸ RET P07949 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
SCHEMBL13452487 0.84 DRD4 (0.60) HRH3DRD4
SCHEMBL22588657 0.78 HRH3 (0.45) HRH3DRD4EPHA2IRAK4ERBB2
SCHEMBL28689656 0.78 ALDH1A1 (0.42) —
SCHEMBL12191227 0.77 HRH3 (0.70) HRH3DRD4
SCHEMBL29483718 0.74 DRD4 (0.65) HRH3DRD4
SCHEMBL24782354 0.73 PDE5A (0.46) —
SCHEMBL10629339 0.73 HRH3 (0.43) HRH3DRD4EPHA2
SCHEMBL10629334 0.73 HRH3 (0.43) HRH3DRD4EPHA2
SCHEMBL17166482 0.73 HRH3 (0.61) HRH3DRD4
SCHEMBL14208023 0.72 HRH3 (0.68) HRH3DRD4

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
CN-114127064-A 4H-pyrrolo [3,2-c ] pyridin-4-one compounds 拜耳股份有限公司 2022-03-01 — — CN disclosed
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