SCHEMBL27619680

SCHEMBL27619680

CN(C)Cc1ccc(C2=Cc3ncc(C#N)cc3S2(=O)=O)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LSS P48449 1/20 0.37
HRH3 Q9Y5N1 2/20 0.36
MELK Q14680 3/20 0.34
TLR7 Q9NYK1 1/20 0.33
TAAR1 Q96RJ0 2/20 0.33
NTRK1 P04629 1/20 0.32
NTRK3 Q16288 1/20 0.32
NTRK2 Q16620 1/20 0.32
SRC P12931 1/20 0.32
ROCK2 O75116 1/20 0.31
PDPK1 O15530 1/20 0.31
TRPM8 Q7Z2W7 1/20 0.31
BRD4 O60885 1/20 0.30
BRD9 Q9H8M2 1/20 0.30
TTK P33981 1/20 0.30
AURKB Q96GD4 1/20 0.30
INCENP Q9NQS7 1/20 0.30
EGLN2 Q96KS0 2/20 0.30
PRKCQ Q04759 1/20 0.30
PRKCD Q05655 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
SCHEMBL27619679 0.66 SRC (0.49) LSSHRH3MELKTAAR1SRC
SCHEMBL27686135 0.65 HRH3 (0.37) LSSHRH3TLR7TAAR1NTRK1
SCHEMBL156261 0.64 CYP2A6 (0.58) LSSHRH3TAAR1ROCK2
Hydrochloric Acid SCHEMBL28582005 0.63 CYP2A6 (0.56) LSSHRH3TAAR1ROCK2
SCHEMBL10924184 0.60 LSS (0.57) LSSHRH3TAAR1ROCK2
SCHEMBL12679031 0.58 HRH3 (1.00) HRH3TAAR1BRD4BRD9TTK
SCHEMBL28754797 0.58 SRC (0.49) MELKSRCPRKCQPRKCD
SCHEMBL10928213 0.58 MAOB (0.62) HRH3
SCHEMBL10925683 0.57 SNCA (0.50) LSSHRH3TAAR1ROCK2
SCHEMBL10925686 0.57 SNCA (0.50) LSSHRH3TAAR1ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1714092-A Thieno [3, 2-b ] pyridine-6-carbonitriles and thieno [2, 3-b ] pyridine-5-carbonitriles as protein kinase inhibitors WYETH CORP (US) 2005-12-28 CN claimed
CN-1714092-A Thieno [3, 2-b ] pyridine-6-carbonitriles and thieno [2, 3-b ] pyridine-5-carbonitriles as protein kinase inhibitors WYETH CORP (US) 2005-12-28 CN disclosed