SCHEMBL27619682

SCHEMBL27619682

CN(C)Cc1cccc(-c2cc3ncc(C#N)cc3s2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 4/20 0.43
PRKCD Q05655 4/20 0.43
PRKCB P05771 1/20 0.42
LCK P06239 1/20 0.42
LYN P07948 1/20 0.42
PRKCH P24723 1/20 0.42
PRKCE Q02156 1/20 0.42
SRC P12931 5/20 0.41
APP P05067 1/20 0.37
HSD17B1 P14061 1/20 0.37
HSD17B2 P37059 1/20 0.37
HTR7 P34969 1/20 0.36
ATP4A P20648 2/20 0.35
ATP4B P51164 2/20 0.35
P2RY1 P47900 1/20 0.35
PRMT6 Q96LA8 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34

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 0.90 SRC (0.49) PRKCQPRKCDLYNSRCAPP
SCHEMBL27638700 0.81 APP (0.39) SRCAPPMCHR1
SCHEMBL28754797 0.81 SRC (0.49) PRKCQPRKCDSRCAPPALDH1A1
SCHEMBL28757790 0.79 SRC (0.35) SRCAPPALDH1A1CYP3A4
SCHEMBL27638790 0.78 HRH3 (0.41) SRCAPPHTR2CMCHR1
SCHEMBL27638695 0.78 CYP2A6 (0.41) SRCAPPMCHR1
SCHEMBL27638696 0.77 SRC (0.40) SRCAPPALDH1A1CYP1A2CYP3A4
SCHEMBL19029379 0.73 HDAC6 (0.57) APP
SCHEMBL27638690 0.70 SRC (0.40) SRCAPP
SCHEMBL4941352 0.70 PRKCQ (0.60) PRKCQPRKCDPRKCBLCKLYN

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