SCHEMBL5224565

SCHEMBL5224565

NC(=O)c1ccc(C(F)(F)F)nc1-c1ccc2scnc2c1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 11/20 0.49
LCK P06239 8/20 0.49
KDR P35968 8/20 0.49
TGFBR1 P36897 7/20 0.49
CSNK1D P48730 1/20 0.41
CSNK1E P49674 1/20 0.41
SYK P43405 4/20 0.40
JAK2 O60674 3/20 0.38

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
SCHEMBL5222484 0.78 RIPK2 (0.45) RIPK2LCKKDRTGFBR1CSNK1D
SCHEMBL5227887 0.76 RIPK2 (0.53) RIPK2LCKKDRTGFBR1CSNK1D
SCHEMBL29598464 0.73 HDAC6 (0.46) RIPK2LCKKDRTGFBR1
SCHEMBL28777612 0.73 PARP1 (0.39) SYKJAK2
SCHEMBL4504523 0.73 JAK2 (0.49) JAK2
SCHEMBL23539749 0.72 DYRK1A (0.44) TGFBR1
SCHEMBL3308095 0.72 PIK3CA (0.53) RIPK2LCKKDRTGFBR1
SCHEMBL30775503 0.71 SYK (0.41) TGFBR1SYKJAK2
SCHEMBL29207870 0.71 SYK (0.41) TGFBR1SYKJAK2
SCHEMBL5225861 0.71 BCAT2 (0.49) RIPK2LCKKDRTGFBR1SYK

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
EP-1799661-A1 NEW HYDROXYMETHYLBENZOTHIAZOLES AMIDES AstraZeneca AB (SE) 2007-06-27 EP disclosed
WO-2006038871-A1 NEW HYDROXYMETHYLBENZOTHIAZOLES AMIDES ASTRAZENECA AB (SE) 2006-04-13 WO disclosed