SCHEMBL6850892

SCHEMBL6850892

O=CC#Cc1cc(-c2cncnc2)cs1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 5/20 0.34
DYRK1A Q13627 1/20 0.30
DYRK1B Q9Y463 1/20 0.30

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
SCHEMBL6852482 0.82 LMNA (0.37) ERN1DYRK1ADYRK1B
SCHEMBL6847782 0.75 CYP3A4 (0.36)
SCHEMBL6852143 0.74 CLK4 (0.30)
SCHEMBL15820746 0.72 ERN1 (0.43) ERN1DYRK1ADYRK1B
SCHEMBL6852255 0.71 CYP2A6 (0.37) ERN1
SCHEMBL6852643 0.69 ATM (0.42) ERN1
SCHEMBL6854136 0.60 DYRK1A (0.58) DYRK1ADYRK1B
SCHEMBL2814958 0.60 ATM (0.65) ERN1
SCHEMBL6847768 0.59 CYP2A6 (0.56) DYRK1ADYRK1B
SCHEMBL6854124 0.59 HDAC3 (0.41)

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1585775-A 6-O-acyl ketolide derivatives of erythromycine useful as antibacterials ORTHO MCNEIL PHARM INC (US) 2005-02-23 CN disclosed
US-6825170-B2 ERYTHROMYCIN TYPE MACROLIDE WITH A FUSED OXAZOLONE RING ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-11-30 US disclosed
EP-1453847-A1 6-O-ACYL KETOLIDE DERIVATIVES OF ERYTHROMYCINE USEFUL AS ANTIBACTERIALS Ortho-Mcneil Pharmaceutical, Inc. (US) 2004-09-08 EP disclosed
WO-2003050132-A1 6-O-ACYL KETOLIDE DERIVATIVES OF ERYTHROMYCINE USEFUL AS ANTIBACTERIALS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2003-06-19 WO disclosed