SCHEMBL29707416

SCHEMBL29707416

CC(C)(C)OC(=O)N1CCn2ncc(-c3ccc(CCN)cc3)c2C1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 8/20 0.43
▸ WDR77 Q9BQA1 8/20 0.43
▸ NR1H2 P55055 2/20 0.39
▸ GPR119 Q8TDV5 7/20 0.38
▸ JAK1 P23458 1/20 0.36
▸ CREBBP Q92793 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
SCHEMBL17925972 0.84 CSNK1D (0.41) PRMT5WDR77NR1H2
SCHEMBL20159015 0.84 CKS1B (0.49) PRMT5WDR77NR1H2GPR119
SCHEMBL29707324 0.81 MEN1 (0.41) NR1H2
SCHEMBL17936835 0.79 CYP3A4 (0.44) PRMT5WDR77NR1H2
SCHEMBL17936827 0.77 CSNK1D (0.44) GPR119
SCHEMBL31605818 0.76 NR1H2 (0.43) NR1H2GPR119
SCHEMBL19632111 0.75 NR1H2 (0.45) NR1H2
SCHEMBL17936818 0.75 CSNK1D (0.46) GPR119CREBBP
SCHEMBL26122508 0.74 NR1H2 (0.41) NR1H2GPR119CREBBP
SCHEMBL25209603 0.74 CSNK1E (0.47) PRMT5WDR77GPR119

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
EP-3414252-B1 THIENOPYRIDINE CARBOXAMIDES AS UBIQUITIN-SPECIFIC PROTEASE INHIBITORS VALO HEALTH INC (US) 2022-07-06 — — EP disclosed
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