SCHEMBL9910065

SCHEMBL9910065

CC(C)(C)C1=CNCCC1

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
SCHEMBL27293421 0.91
SCHEMBL10050844 0.85
SCHEMBL27294615 0.69 ESR1 (0.30)
SCHEMBL10013883 0.67
SCHEMBL9911103 0.62
SCHEMBL22433110 0.62
SCHEMBL19006108 0.62
SCHEMBL28840259 0.62
SCHEMBL7598535 0.62
SCHEMBL14530733 0.62

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10239873-B2 7-azaindole or 4,7-diazaindole derivatives as IKKϵ epsilon and TBK1 inhibitor and pharmaceutical composition comprising same GREEN CROSS CORPORATION (KR) 2019-03-26 US disclosed
US-8217177-B2 Fused heterocyclic derivatives and methods of use AMGEN INC. (US) 2012-07-10 US disclosed
US-8217177-B2 Fused heterocyclic derivatives and methods of use AMGEN INC. (US) 2012-07-10 US disclosed
US-8212041-B2 Fused heterocyclic derivatives and methods of use AMGEN INC. (US) 2012-07-03 US disclosed
US-20120148531-A1 FUSED HETEROCYCLIC DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2012-06-14 US disclosed
US-8198448-B2 Fused heterocyclic derivatives and methods of use AMGEN INC. (US) 2012-06-12 US disclosed
US-20090318436-A1 Fused heterocyclic derivatives and methods of use AMGEN INC. (US) 2009-12-24 US disclosed
US-20090124612-A1 Fused heterocyclic derivatives and methods of use AMGEN INC. (US) 2009-05-14 US disclosed
US-20090124609-A1 Fused heterocyclic derivatives and methods of use AMGEN INC. (US) 2009-05-14 US disclosed