SCHEMBL3990502

SCHEMBL3990502

Cc1cn(C)c2c(Cl)ncc(I)c12

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL25756225 0.76 ADK (0.30)
SCHEMBL3988980 0.74 CNR1 (0.39)
SCHEMBL3994334 0.73 POLB (0.34)
SCHEMBL25753865 0.70 ADK (0.31)
SCHEMBL25670959 0.68 SMN1; SMN2 (0.30)
SCHEMBL3990652 0.66 CNR2 (0.63)
SCHEMBL31164382 0.64 HASPIN (0.32)
SCHEMBL15705506 0.64
SCHEMBL31227161 0.64 RXFP1 (0.37)
SCHEMBL3993622 0.63 CHEK1 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7589206-B2 Pyrrolopyridine derivatives GLAXO GROUP LIMITED (GB) 2009-09-15 US disclosed
US-7589206-B2 Pyrrolopyridine derivatives GLAXO GROUP LIMITED (GB) 2009-09-15 US disclosed
US-7589206-B2 Pyrrolopyridine derivatives GLAXO GROUP LIMITED (GB) 2009-09-15 US disclosed
EP-1753764-B1 PYRROLOPYRIDINE DERIVATIVES GLAXO GROUP LTD (GB) 2008-10-29 EP disclosed
EP-1753764-B1 PYRROLOPYRIDINE DERIVATIVES GLAXO GROUP LTD (GB) 2008-10-29 EP disclosed
US-20070219229-A1 Pyrrolopyridine Derivatives GLAXO GROUP LIMITED (GB) 2007-09-20 US disclosed
US-20070219229-A1 Pyrrolopyridine Derivatives GLAXO GROUP LIMITED (GB) 2007-09-20 US disclosed
US-20070219229-A1 Pyrrolopyridine Derivatives GLAXO GROUP LIMITED (GB) 2007-09-20 US disclosed
CN-101001859-A Pyrrolopyridine derivatives GLAXO GROUP LTD (GB) 2007-07-18 CN disclosed
EP-1753764-A1 PYRROLOPYRIDINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2007-02-21 EP disclosed
WO-2005121140-A1 PYRROLOPYRIDINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2005-12-22 WO disclosed