SCHEMBL27638696

SCHEMBL27638696

CN(C)Cc1cc(-c2cc3ncc(C#N)cc3s2)co1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SRC P12931 5/20 0.40
ABL1 P00519 1/20 0.40
APP P05067 3/20 0.35
CYP1A2 P05177 3/20 0.31
CYP2C19 P33261 3/20 0.31
CYP3A4 P08684 2/20 0.31
ALDH1A1 P00352 2/20 0.31
CYP2C9 P11712 2/20 0.31
HDAC6 Q9UBN7 1/20 0.31
KDM4E B2RXH2 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CLK4 Q9HAZ1 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 0.80 SRC (0.49) SRCAPPHDAC6
SCHEMBL27638700 0.79 APP (0.39) SRCAPPHDAC6
SCHEMBL27638695 0.78 CYP2A6 (0.41) SRCAPPCYP2C19HDAC6CYP2D6
SCHEMBL27619682 0.77 PRKCQ (0.43) SRCAPPCYP1A2CYP3A4ALDH1A1
SCHEMBL28754797 0.74 SRC (0.49) SRCABL1APPCYP3A4ALDH1A1
SCHEMBL28757790 0.72 SRC (0.35) SRCAPPCYP3A4ALDH1A1KDM4E
SCHEMBL27638790 0.71 HRH3 (0.41) SRCAPP
SCHEMBL19029379 0.69 HDAC6 (0.57) APPHDAC6MAPT
SCHEMBL27638690 0.66 SRC (0.40) SRCABL1APP
SCHEMBL19029329 0.64 HPGDS (0.38) APPCYP3A4ALDH1A1KDM4E

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