SCHEMBL4019004

SCHEMBL4019004

C[CH]c1sc2nncn2c1C

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 18/20 0.42
PARP2 Q9UGN5 17/20 0.42
PARP15 Q460N3 17/20 0.42
PARP10 Q53GL7 15/20 0.42
PARP14 Q460N5 2/20 0.42
BRPF1 P55201 1/20 0.42
GRM5 P41594 1/20 0.36
TNKS O95271 1/20 0.36
PARP1 P09874 1/20 0.36
PARP11 Q9NR21 1/20 0.36
PARP4 Q9UKK3 1/20 0.36
PARP3 Q9Y6F1 1/20 0.36

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
SCHEMBL4023863 0.65 CDK2 (0.34)
Tricyclazole SCHEMBL14721539 0.60 BRPF1 (1.00) TNKS2PARP2PARP15PARP10PARP14
SCHEMBL13018164 0.58 TNKS2 (0.38) TNKS2PARP2PARP15PARP10PARP14
SCHEMBL4402257 0.56
SCHEMBL14034443 0.52 KDM4E (0.34)
SCHEMBL20202911 0.52 KDM4E (0.38)
SCHEMBL7901815 0.50 KDM4E (0.55) TNKS2PARP2PARP15PARP10PARP14
SCHEMBL10044574 0.48
SCHEMBL7894369 0.48 KDM4E (0.42)
SCHEMBL16067296 0.45

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
WO-2009087220-A1 USE OF THIAZOLOIMIDAZOLES, THIAZOLOTETRAZOLES AND THIAZOLOTRIAZOLES AS MGLUR5 ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-07-16 WO claimed
WO-2009087220-A1 USE OF THIAZOLOIMIDAZOLES, THIAZOLOTETRAZOLES AND THIAZOLOTRIAZOLES AS MGLUR5 ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-07-16 WO disclosed